WorldWideScience

Sample records for preparing polyfluorinated aromatic

  1. Aerogel-copper nanocomposites prepared using the adsorption of a polyfluorinated complex from supercritical CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Bozbag, Selmi Erim [Koc University, Deparment of Chemical and Biological Engineering (Turkey); Kostenko, Svetlana O.; Kurykin, Michael A.; Khrustalev, Victor N.; Khokhlov, Alexei R. [Russian Academy of Sciences, A.N. Nesmeyanov Institute of Organoelement Compounds (Russian Federation); Zhang Lichun; Aindow, Mark [University of Connecticut, Department of Chemical, Materials and Biomolecular Engineering, Institute of Materials Science (United States); Erkey, Can, E-mail: cerkey@ku.edu.tr [Koc University, Deparment of Chemical and Biological Engineering (Turkey)

    2012-07-15

    A supercritical deposition method has been used to synthesize aerogel-copper nanocomposites. Carbon, resorcinol-formaldehyde, and silica aerogels (CAs, RFAs, and SAs) were impregnated with a new polyfluorinated copper precursor (CuDI6), which has a high solubility in supercritical carbon dioxide (scCO{sub 2}). Adsorption isotherms of CuDI6 onto various aerogels from scCO{sub 2} were determined at 35 Degree-Sign C and 10.6 MPa using a batch method which is based on the measurement of the fluid phase concentration. The relative affinity between CuDI6 and different aerogels changed in the following order: CA > RFA > SA. The effect of temperature on the adsorption isotherms for the CuDI6-CO{sub 2}-CA system was also studied at 35 and 55 Degree-Sign C and at a CO{sub 2} density of 736.1 kg/m{sup 3}. The CuDI6 uptake at a particular CuDI6 concentration increased with increasing temperature. Adsorbed CuDI6 was found to convert into Cu and Cu/Cu{sub 2}O nanoparticles on the aerogel supports after chemical or thermal treatments at ambient pressure and at temperatures ranging from 200 to 400 Degree-Sign C.

  2. Process for the preparation of aromatic compounds

    NARCIS (Netherlands)

    Schenk, N.J.; Biesbroek, Arnold; Heeres, André; Heeres, Hero

    2015-01-01

    Aromatic compounds are prepared from a feed stream comprising biomass or a mixture of biomass and synthetic polymer in a process, comprising: a) subjecting the feed stream to a pyrolysis treatment in the presence of a cracking catalyst to yield a vaporous fraction comprising hydrocarbons with

  3. Polyfluorinated chemicals and transformation products

    Energy Technology Data Exchange (ETDEWEB)

    Knepper, Thomas P. [Univ. of Applied Sciences Fresenius, Idstein (Germany). Inst. for Analytical Research; Lange, Frank Thomas (eds.) [DVGW-Technologiezentrum Wasser, Karlsruhe (Germany)

    2012-07-01

    Due to their unparalleled effectiveness and efficiency, polyfluorinated chemicals (PFC) have become essential in numerous technical applications. However, many PFCs brought to market show limited biodegradability, and their environmental persistence combined with toxic and bioaccumulative potential have become a matter of concern in some instances. This volume highlights the synthesis of PFCs, focusing on substances with improved application and environmental properties, which are a challenge for synthetic chemists. Further, modern mass spectrometric techniques for the detection and identification of biotransformation products of PFCs are described. The sorption and leaching behavior of PFC in soil is also addressed in order to predict their fate in the environment. Several contributions discuss the monitoring of PFCs in European surface, ground and drinking waters, treatment options for PFC removal from drinking water, occurrence in food, and the human biomonitoring of PFCs. (orig.)

  4. Aromatic and heterocyclic perfluoroalkyl sulfides. Methods of preparation

    Directory of Open Access Journals (Sweden)

    Vladimir N. Boiko

    2010-08-01

    Full Text Available This review covers all of the common methods for the syntheses of aromatic and heterocyclic perfluoroalkyl sulfides, a class of compounds which is finding increasing application as starting materials for the preparation of agrochemicals, pharmaceutical products and, more generally, fine chemicals. A systematic approach is taken depending on the mode of incorporation of the SRF groups and also on the type of reagents used.

  5. Polyfluorinated alkyl phosphate ester surfactants - current knowledge and knowledge gaps

    DEFF Research Database (Denmark)

    Taxvig, Camilla; Rosenmai, Anna Kjerstine; Vinggaard, Anne Marie

    2014-01-01

    information on fluorochemicals. Polyfluorinated alkyl phosphate ester surfactants (PAPs) belong to the group of polyfluorinated alkyl surfactants. They have been detected in indoor dust and are widely used in food-contact materials, from which they have the ability to migrate into food. Toxicological data...

  6. Strategies for the preparation and concentration of mushroom aromatic products.

    Science.gov (United States)

    Villares, Ana; Guillamon, Eva; Mateo-Vivaracho, Laura; D'Arrigo, Matilde; Garcia-Lafuente, Ana

    2012-08-01

    Fungal aroma comprises at least seven chemical groups of volatile organic compounds, which are plain hydrocarbons, heterocycles, alcohols, phenols, acids and derivatives, carbonyls (aldehydes and ketones), and sulfur containing molecules. This aromatic blend provides the excellent sensory properties to produce and several strategies have been employed to create aromatic products having the aroma and taste of mushrooms and truffles. Nowadays, there are several procedures to obtain aroma concentrates. Among them, the simulation of mushroom aroma by the combination of the main substances responsible for the flavour could be an efficient strategy. Nevertheless, natural procedures are gaining more importance since the concentrate is not a synthetic product and the processes commonly involve the use of mushroom waste. In this field, the maceration with precursor molecules, such as linoleic acid, or different types of enzymes is commonly used in food industry. This article provides a wide view of the most common strategies to produce fungal aroma taking into account the main advantages and disadvantages they present. The article presents some promising patents on strategies for the preparation and concentration of mushroom aromatic products.

  7. Polyfluorinated chemicals in European surface waters, ground- and drinking waters

    NARCIS (Netherlands)

    Eschauzier, C.; de Voogt, P.; Brauch, H.-J.; Lange, F.T.; Knepper, T.P.; Lange, F.T.

    2012-01-01

    Polyfluorinated chemicals (PFCs), especially short chain fluorinated alkyl sulfonates and carboxylates, are ubiquitously found in the environment. This chapter aims at giving an overview of PFC concentrations found in European surface, ground- and drinking waters and their behavior during convention

  8. Polyfluorinated chemicals in European surface waters, ground- and drinking waters

    NARCIS (Netherlands)

    Eschauzier, C.; de Voogt, P.; Brauch, H.-J.; Lange, F.T.; Knepper, T.P.; Lange, F.T.

    2012-01-01

    Polyfluorinated chemicals (PFCs), especially short chain fluorinated alkyl sulfonates and carboxylates, are ubiquitously found in the environment. This chapter aims at giving an overview of PFC concentrations found in European surface, ground- and drinking waters and their behavior during

  9. 基于氟碳表面活性剂插层水滑石的聚酰亚胺纳米复合材料的制备与性能%Preparation and Properties of Nanocomposites Based on Polyimide and Polyfluorinated Surfactant-pillared Layered Double Hydroxide†

    Institute of Scientific and Technical Information of China (English)

    郭海泉; 马晓野; 金日哲; 康传清; 邱雪鹏; 高连勋

    2016-01-01

    Layered double hydroxide was modified with polyfluorinated surfactant via anion-exchange intercalation procedure. The nature of the interlayer anions, the morphology and the thermal stability of the fluorinated LDH( LDH-FS) were investigated by infrared spectrum, X-ray diffraction and thermogravimetry analysis. The interlayer space was expanded from 0. 76 nm to 2. 52 nm and the microenvironments with polyfluorinate phase were formed. LDH-FS based polyimide(PI) nanocomposites were prepared by the in situ polymerization and characterized. LDH-FS was well dispersed in the polyimide matrix. The gas barred, mechnical and dielectric properties of the LDH-FS / PI nanocomposites were synthetically effected by the exfoliated inorganic nanolayers and polyfluorocarbon chain.%以氟碳表面活性剂全氟辛基磺酸钾为插层剂,通过离子交换制备插层水滑石,并以其为填料,通过原位插层聚合方法,制备了水滑石/氟碳表面活性剂/聚酰亚胺纳米复合材料.用 X 射线衍射、红外光谱和热失重等方法分析插层水滑石结构.结果表明,全氟辛基磺酸钾插层水滑石后,水滑石的层间距由0.76 nm 增加到2.52 nm,在水滑石层间构建了氟碳链的微环境.这种氟化水滑石可剥离分散于聚酰亚胺基体中,改善了纳米复合材料的气体阻隔性能、介电性能和机械性能.这种影响不仅体现无机纳米片层的杂化效果,而且展示出氟碳链的特点.

  10. Preparation of Aromatic Polycarbonate Nanoparticles using Supercritical Carbon Dioxide

    Science.gov (United States)

    Lee, Jun-Young; Song, Cheong-Hun; Kim, Joong-In; Kim, Jung-Hyun

    2002-04-01

    A novel synthetic process for producing aromatic polycarbonate (PC) nanoparticles using supercritical CO2 was developed. The objective of the present research work was to synthesize high molecular weight PC nanoparticles using transesterification between bisphenol-A (BPA) and diphenyl carbonate (DPC) in supercritical CO2 which is an excellent plasticizing agent and a good solvent for phenol, a by-product of the reaction. Poly(propylene oxide)-poly(ethylene oxide)-poly(propylene oxide) tri-block copolymer with CO2-phobic anchor and CO2-philic tail group was used as a stabilizer for the preparation of stable dispersions of BPA-DPC mixture in a CO2 continuous phase. As the reaction was proceeding, phenol formed from the reaction was dissolved and diffused into supercritical CO2 phase. The PC nanoparticles were isolated by simple venting of the supercritical CO2 from the reactor. Spherical morphology of PC particles was confirmed by scanning electron microscopy. Particle size and morphology of PC particles were modified upon variation of the process conditions. The resulting PC particles with a nano-size of 30-140 nm have a high molecular weight ( M w) of 3.1×105 (g/mol).

  11. Ambient cure polyimide foams prepared from aromatic polyisocyanates, aromatic polycarboxylic compounds, furfuryl alcohol, and a strong inorganic acid

    Science.gov (United States)

    Sawko, Paul M. (Inventor); Riccitiello, Salvatore R. (Inventor); Hamermesh, Charles L. (Inventor)

    1980-01-01

    Flame and temperature resistant polyimide foams are prepared by the reaction of an aromatic dianhydride, e.g., pyromellitic dianhydride, with an aromatic polyisocyanate, e.g., polymethylene polyphenylisocyanate (PAPI) in the presence of an inorganic acid and a lower molecular weight alcohol, e.g., dilute sulfuric acid or phosphoric acid and furfuryl alcohol. The exothermic reaction between the acid and the alcohol provides the heat necessary for the other reactants to polymerize without the application of any external heat. Such mixtures, therefore, are ideally suited for in situ foam formation, especially where the application of heat is not practical or possible.

  12. Preparation and Aromatic Hydrocarbon Removal Performance of Potassium Ferrate

    National Research Council Canada - National Science Library

    Guan, Wei; Xie, Zhigang; Zhang, Jia

    2014-01-01

    .... Under the condition of micropolluted source water pH and on the basis of naphthalene, phenanthrene, and pyrene as research objects, the effects of different systems to remove aromatic hydrocarbons were studied...

  13. 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.

  14. Preparation and Aromatic Hydrocarbon Removal Performance of Potassium Ferrate

    Directory of Open Access Journals (Sweden)

    Wei Guan

    2014-01-01

    Full Text Available This experiment adopts the hypochlorite oxidation method to constantly synthesize potassium ferrate. Under the condition of micropolluted source water pH and on the basis of naphthalene, phenanthrene, and pyrene as research objects, the effects of different systems to remove aromatic hydrocarbons were studied. Various oxidation systems to remove phenanthrene intermediate are analyzed and the detailed mechanisms for removal of phenanthrene are discussed. The study found that the main intermediate of potassium ferrate system to transform phenanthrene is 9,10-phenanthraquinone and its area percentage reached 82.66%; that is, 9,10-phenanthraquinone is the key entity to remove phenanthrene.

  15. Effect of Preparation Techniques of Y-Mo/HZSM-5 on Its Activity in Methane Aromatization

    Institute of Scientific and Technical Information of China (English)

    Qiying Wang; Weiming Lin

    2004-01-01

    The production of benzene directly from methane aromatization under oxygen-free condition is currently a new focus in natural gas utilization. The influence of preparation techniques of the catalysts on their catalytic activities is studied in this paper. The influencing factors include the impregnating method, the calcination temperature, the promoter content and the acidity of the zeolite support. Optimum preparation techniques for the catalysts are obtained through this work.

  16. A Preparation Technique of Aromatic Type Direct Vat Set

    Institute of Scientific and Technical Information of China (English)

    LIU Ying; GAO Xuejun; PENG Yahui; YUAN Xiaohan

    2009-01-01

    To prepare a kind of good direct vat set for yogurt, three species of lactic acid bacteria were applied to do sugar fermentation and RAPD experiments, ratio of strains, and experiments of fermentation. It was succeeded in preparing the excellent DVS including three strains. Through organoleptic investigation and metabolism determination during fermentation and changes during 4℃ storage of the yogurt fermented by this DVS, it was evaluated that the acidity of yoghurt fermented by the DVS was suited,milk curd was uniformity, and aroma was thick.

  17. Stereospecific Synthesis of (Z)-α-Fluoro-β-trifluoromethyl Vinyl Iodides and Their Application to the Synthesis of Polyfluorinated Thienyl Alkadienes

    Institute of Scientific and Technical Information of China (English)

    SHEN,Yan-Chang; WANG,Guo-Ping

    2006-01-01

    The direct iodination of polyfluorinated vinyl stannanes by tin-iodine exchange methodology was achieved giving (Z)-α-fluoro-β-trifluoromethyl vinyl iodides stereospecifically. Changing the substituent in R group from the electron-withdrawing group to electron-donating group led to an increase in the yield from 78% to 90%, while it was moved from para to meta position the reaction did not afford a dramatic change in the yield (90% to 95%). In addition, this reaction also can be applied to the vinyl stannane with heterocyclic group. The further coupling reaction of prepared vinyl iodide containing heterocyclic moiety with (Z)-α-fluoro-β-trifluoromethylstannanes gave polyfluorinated heterocyclic alkadienes with 2E,4E-selectivity.

  18. Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.

    Science.gov (United States)

    Bhhatarai, Barun; Gramatica, Paola

    2011-05-01

    Quantitative structure-activity relationship (QSAR) analyses were performed using the LD(50) oral toxicity data of per- and polyfluorinated chemicals (PFCs) on rodents: rat and mouse. PFCs are studied under the EU project CADASTER which uses the available experimental data for prediction and prioritization of toxic chemicals for risk assessment by using the in silico tools. The methodology presented here applies chemometrical analysis on the existing experimental data and predicts the toxicity of new compounds. QSAR analyses were performed on the available 58 mouse and 50 rat LD(50) oral data using multiple linear regression (MLR) based on theoretical molecular descriptors selected by genetic algorithm (GA). Training and prediction sets were prepared a priori from available experimental datasets in terms of structure and response. These sets were used to derive statistically robust and predictive (both internally and externally) models. The structural applicability domain (AD) of the models were verified on 376 per- and polyfluorinated chemicals including those in REACH preregistration list. The rat and mouse endpoints were predicted by each model for the studied compounds, and finally 30 compounds, all perfluorinated, were prioritized as most important for experimental toxicity analysis under the project. In addition, cumulative study on compounds within the AD of all four models, including two earlier published models on LC(50) rodent analysis was studied and the cumulative toxicity trend was observed using principal component analysis (PCA). The similarities and the differences observed in terms of descriptors and chemical/mechanistic meaning encoded by descriptors to prioritize the most toxic compounds are highlighted.

  19. Preparation of micro-encapsulated strawberry fragrance and its application in the aromatic wallpaper

    Directory of Open Access Journals (Sweden)

    Xiao Zuobing

    2017-03-01

    Full Text Available Micro-encapsulated strawberry fragrance was successfully prepared with wall materials including maltodextrin, sodium octenylsuccinate and gum Arabic. The micro-capsule was added to wallpaper and aromatic wallpaper with strawberry characteristics was obtained. The particle distribution, surface morphology, chemical structure, thermal property and controlled release performance of micro-encapsulated fragrance and aromatic wallpaper were investigated using laser particle size analyzer, scanning electron microscopy (SEM, Fourier transform infrared spectroscopy (FT-TR, thermal gravity analysis (TGA and chromatography-mass spectrometer (GC-MS. The results showed that the average diameter of micro-capsule was 2 μm and the particles mainly distributed in the tissues of wallpaper. The result of TGA showed that the micro-capsule had a good stability. Meanwhile, the aromatic wallpaper had strawberry aroma more than 3 months and took on excellent controlled release performance.

  20. [Preparation and antimicrobial effect of aromatic, natural and bacteriostatic foot wash with skin care].

    Science.gov (United States)

    Gao, Su-Hua; Zhao, Guo-Xiang; Yang, Xiao-Dong; Xu, Ling-Ling

    2013-06-01

    To prepare the aromatic, natural and bacteriostatic foot wash with skin care and research the inhibition effect on the different bacteria and pathogenic fungus which cause dermatophytosis. It was prepared by using Sophoraflavescens and Dictamnus dasycarpus as materials with the addition of Aloe extract, essential oil, surfactant, etc. The antifungal and antibacterial activity was researched by the levitation liquid quantitative method. The foot wash smelled faintly scent. The use of this product can produce a rich foam. The inhibitory rate were all more than 90%. The preparation process of the foot wash was simple. It has obviously bacteriostatic and fungistatic effect.

  1. Preparation,Photo and Electroluminescence Properties of Novel Rare Earth Aromatic Carboxylates

    Institute of Scientific and Technical Information of China (English)

    林秦; 符连社; 等

    2002-01-01

    Novel soluble rare earth aromatic carboxylates were prepared.The triplet energy level of organic ligand was measured.The photoluminescence properties of the Tb3+and Eu3+aromatic carboxylates and lifetimes were investated ,which indicated that these rare earth complexes have high quantum efficiency,Because of their excellent solubility,polmer-doping rare earth carboxylates were fabricated as thin fimls by spin-coating method and theri luminescence properties were studied,Some rare earth organic light-emitting diodes were successfully fabricated which performed high pure color,The maximum luminacnce of the device of ITO/PVK/PVK:Tb(AS)3Phen:PBD/PBD/Al is 32cd·m-2at28V.

  2. Preparation, Photo and Electroluminescence Properties of Novel Rare Earth Aromatic Carboxylates

    Institute of Scientific and Technical Information of China (English)

    林秦; 符连社; 梁玉军; 郑佑轩; 林君; 张洪杰

    2002-01-01

    Novel soluble rare earth aromatic carboxylates were prepared. The triplet energy level of organic ligand was measured. The photoluminescence properties of the Tb3+ and Eu3+ aromatic carboxylates and lifetimes were investigated, which indicated that these rare earth complexes have high quantum efficiency. Because of their excellent solubility, polymer-doping rare earth carboxylates were fabricated as thin films by spin-coating method and their luminescence properties were studied. Some rare earth organic light-emitting diodes were successfully fabricated which performed high pure color. The maximum luminance of the device of ITO/PVK/PVK∶Tb(AS)3Phen∶PBD/PBD/Al is 32 cd*m-2 at 28 V.

  3. Per and polyfluorinated substances in the Nordic Countries

    DEFF Research Database (Denmark)

    Posner, Stefan; Roos, Sandra; Brunn Poulsen, Pia;

    prioritized in 2) There is a lack of physical chemical data, analystical reference substances, human and environmental occurrence and toxicology data, as well as market information regarding PFCs other than PFOA and PFOS and the current legislation cannot enforce disclosure of specific PFC substance......This Tema Nord report presents a study based on open information and custom market research to review the most common perfluorinated substances (PFC) with less focus on PFOS and PFOA. The study includes three major parts: 1) Identification of relevant per-and polyfluorinated substances...... and their use in various industrial sectors in the Nordic market by interviews with major players and database information 2) Emissions to and occurence in the Nordic environment of the substances described in 1) 3) A summary of knowledge of the toxic effects on humans and the environment of substances...

  4. STRUCTURAL ANALYSIS AND ENVIRONMENTAL STABILITY OF POLYFLUORINATED GROUP SUBSTITUTED POLYTHIOPHENES

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xuqing; SHEN Xueming; YANG Shiyong; LU Wei; ZHANG Jingyun

    1996-01-01

    Electrochemical polymerization of 3-fluoroalkoxy and 3-fluoroether thiophenes gives polymers with relatively high molecular weights and good processibility . Investigation of these polymers by means of GPC indicates that an increase in the number of fluorine atoms in the fluorinated group results in a decrease in degree of polymerization of the polymers in the same polythiophene series. As shown by NMR and FTIR, the polyfluorinated group substituted polythiophenes have regular 2, 5-coupling in their main chains.The SEM micrographs of the polymer films exhibit that polymer (1)-poly [3-2, 2, 3, 3-tetrafluoro-propoxy) thiophene] possesses more regular structure than the other polymers do. Substitution of polythiophenes by fluorinated groups leads to the polymers with high electric, electrochemical and thermal stability.

  5. Hydrocarbon proton-conductive membranes prepared by radiation-grafting of styrenesulfonate onto aromatic polyamide films

    Energy Technology Data Exchange (ETDEWEB)

    Li Dengrong [Department of Chemistry, Faculty of Engineering, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Conducting Polymer Materials Group, Environment and Industrial Materials Research Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Chen Jinhua [Conducting Polymer Materials Group, Environment and Industrial Materials Research Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan)], E-mail: chen.jinhua@jaea.go.jp; Zhai Maolin [Conducting Polymer Materials Group, Environment and Industrial Materials Research Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Beijing National Laboratory for Molecular Sciences (BNLMS), Department of Applied Chemistry, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing (China); Asano, Masaharu; Maekawa, Yasunari [Conducting Polymer Materials Group, Environment and Industrial Materials Research Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Oku, Hiroyuki [Department of Chemistry, Faculty of Engineering, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Yoshida, Masaru [Conducting Polymer Materials Group, Environment and Industrial Materials Research Division, Quantum Beam Science Directorate, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan)

    2009-01-15

    Novel method for preparing aromatic hydrocarbon proton-conductive membranes without sulfonation and membrane casting process is achieved by radiation-grafting of sodium styrenesulfonate to an aromatic polyamide, poly(m-xylylene adipamide) (Nylon-MXD6) films and subsequent ion-exchange. The styrenesulfonate was easily grafted into the Nylon-MXD6 films from an oxygen-free dimethyl sulfoxide (DMSO) solution at 60 deg. C. As a result, the resulted styrenesulfonic acid-grafted Nylon-MXD6 films, namely proton-conductive membrane, with high ion-exchange capacity up to 1.63 mmol/g, can be obtained. The membrane was transparent and highly hydrophilic. The proton conductivity, water uptake and methanol permeability of the proton-conductive membranes were investigated with respect to their use in fuel cells. The high proton conductivity reached 0.083 S/cm, comparable to Nafion. Furthermore, the methanol permeability was significantly lower than that of the Nafion membrane. Therefore, the Nylon-MXD6-based proton-conductive membrane is a more promising material for the direct methanol fuel cells (DMFCs)

  6. New Lipophilic Piceatannol Derivatives Exhibiting Antioxidant Activity Prepared by Aromatic Hydroxylation with 2-Iodoxybenzoic Acid (IBX

    Directory of Open Access Journals (Sweden)

    Roberta Bernini

    2009-11-01

    Full Text Available Piceatannol (E-3,5,3’,4’-tetrahydroxystilbene is a phytoalexin synthesized in grapes in response to stress conditions. It exhibits strong antioxidant and antileukaemic activities due to the presence of the catechol moiety. To modify some physical properties like solubility, and miscibility in non-aqueous media some new previously unreported piceatannol derivatives having lipophilic chains on the A-ring were prepared in good yields by a simple and efficient procedure. The key step was a chemo- and regioselective aromatic hydroxylation with 2-iodoxybenzoic acid (IBX. The new compounds showed antioxidant activity and seemed promising for possible applications as multifunctional emulsifiers in food, cosmetic and pharmaceutical fields.

  7. High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

    Science.gov (United States)

    Dimzon, Ian Ken; Trier, Xenia; Frömel, Tobias; Helmus, Rick; Knepper, Thomas P.; de Voogt, Pim

    2016-02-01

    High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of an instrument data processor. Highly accurate mass spectral data enabled the calculation of higher-order mass defects. The different plots of MW and the nth-order mass defects (up to n = 3) could aid in assessing the structure of the different repeating units and estimating their absolute and relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health.

  8. Heterocyclic Aromatic Amines in Domestically Prepared Chicken and Fish from Singapore Chinese Households

    Energy Technology Data Exchange (ETDEWEB)

    Salmon, C P; Knize, M G; Felton, J S; Zhao, B; Seow, A

    2005-05-16

    Chicken and fish samples prepared by 42 Singapore Chinese in their homes were obtained. Researchers were present to collect data on raw meat weight, cooking time, maximum cooking surface temperature, and cooked meat weight. Each participant prepared one pan-fried fish sample and two pan-fried chicken samples, one marinated, one not marinated. The cooked samples were analyzed for five heterocyclic aromatic amine (HAA) mutagens, including MeIQx (2-amino 3,8-dimethylimidazo[4,5-f]quinoxaline); 4,8-DiMeIQx (2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline); 7,8-DiMeIQx (2-amino-3,7,8-trimethylimidazo[4,5-f]quinoxaline); PhIP (2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine), and IFP (2-amino-(1,6-dimethylfuro[3,2-e]imidazo [4,5-b])pyridine). A paired Student's t-test showed that marinated chicken had lower concentrations of PhIP (p<0.05), but higher concentrations of MeIQx (p<0.05) and 4,8-DiMeIQx (p<0.001) than non-marinated chicken, and also that weight loss due to cooking was less in marinated chicken than in non-marinated chicken (p<0.001). Interestingly, the maximum cooking surface temperature was higher for fish than for either marinated or non-marinated chicken (P<0.001), yet fish was lower in 4,8-DiMeIQx per gram than marinated or non-marinated chicken (p<0.001), lower in PhIP than non-marinated chicken (P<0.05), and lost less weight due to cooking than either marinated or non-marinated chicken (P<0.001). Fish was also lower in MeIQx and 7,8-DiMeIQx than marinated chicken (P<0.05). This study provides new information on HAA content in the Singapore Chinese diet.

  9. Structural isomers of polyfluorinated di- and tri-alkylated phosphate ester surfactants present in industrial blends and in microwave popcorn bags

    DEFF Research Database (Denmark)

    Trier, Xenia; Juul Nielsen, Nikoline; Christensen, Jan H.

    2011-01-01

    Introduction In this study, we provide strategies for detecting and quantifying the structural isomers of polyfluorinated di- and tri-alkyl surfactants (PFAS) by mass spectrometry (MS). We specifically investigate polyfluorinated dialkylated phosphate ester surfactants (x:2/y:2 diPAPS, (F(CF2) x CH...

  10. Tools to discover anionic and nonionic polyfluorinated alkyl surfactants by liquid chromatography electrospray ionisation mass spectrometry

    DEFF Research Database (Denmark)

    Trier, Xenia; Granby, Kit; Christensen, Jan H.

    2011-01-01

    A tiered approach is proposed for the discovery of unknown anionic and nonionic polyfluorinated alkyl surfactants (PFASs) by reversed phase ultra high performance liquid chromatography (UHPLC) – negative electrospray ionisation – quadrupole time of flight mass spectrometry (UHPLC......–ESI−–QTOF–MS). The chromatographic separation, ionisation and detection of PFASs mixtures, was achieved at high pH (pH=9.7) with NH4OH as additive. To distinguish PFASs from other chemicals we used the characteristic negative mass defects of PFASs, their specific losses of 20Da (HF) and the presence of series of chromatographic...

  11. Polyfluorinated surfactants (PFS) in paper and board coatings for food packaging

    DEFF Research Database (Denmark)

    Trier, Xenia; Granby, Kit; Christensen, Jan H

    2011-01-01

    range of polyfluorinated surfactants (PFS) used for food contact materials, primarily to impart oil and water repellency on paper and board. PFS are of interest, as they can be precursors of poly- and perfluorinated alkyl substances (PFAS), of which several are persistent and are found worldwide...... in human blood and in the environment. Materials and methods To determine the elemental composition of PFS, we combined information from patents, chemical suppliers and analyses of industrial blends using ultra performance liquid chromatography-negative electrospray ionisation quadrupole time...

  12. Fluorous microgel star polymers: selective recognition and separation of polyfluorinated surfactants and compounds in water.

    Science.gov (United States)

    Koda, Yuta; Terashima, Takaya; Sawamoto, Mitsuo

    2014-11-01

    Immiscible with either hydrophobic or hydrophilic solvents, polyfluorinated compounds (PFCs) are generally "fluorous", some of which have widely been employed as surfactants and water/oil repellents. Given the prevailing concern about the environmental pollution and the biocontamination by PFCs, their efficient removal and recycle from industrial wastewater and products are critically required. This paper demonstrates that fluorous-core star polymers consisting of a polyfluorinated microgel core and hydrophilic PEG-functionalized arms efficiently and selectively capture PFCs in water into the cores by fluorous interaction. For example, with over 10 000 fluorine atoms in the core and approximately 100 hydrophilic arms, the fluorous stars remove perfluorooctanoic acid (PFOA) and related PFCs in water from 10 ppm to as low as a parts per billion (ppb) level, or an over 98% removal. Dually functionalized microgel-core star polymers with perfluorinated alkanes and additional amino (or ammonium) groups cooperatively recognize PFOA or its ammonium salt and, in addition, release the guests upon external stimuli. The "smart" performance shows that the fluorous-core star polymers are promising PFC separation, recovery, and recycle materials for water purification toward sustainable society.

  13. CTEPP STANDARD OPERATING PROCEDURE FOR EXTRACTING AND PREPARING URINE SAMPLES FOR ANALYSIS OF HYDROXY POLYCYCLIC AROMATIC HYDROCARBONS, PENTACHLOROPHENOL AND 2,4-D (SOP-5.21)

    Science.gov (United States)

    The method for extracting and preparing urine samples for analysis of hydroxy-polycyclic aromatic hydrocarbons, pentachlorophenol and 2,4-D is summarized in this SOP. It covers the extraction, concentration and methylation of samples that are to be analyzed by gas chromatography/...

  14. Preparation and properties of aromatic polyester/TiO{sub 2} nanocomposites from polyethylene terephthalate

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Leonardo Moreira dos; Carone, Carlos Leonardo Pandolfo; Einloft, Sandra Mara Oliveira; Ligabue, Rosane Angelica, E-mail: rligabue@pucrs.br [Pontificia Universidade Catolica do Rio Grande do Sul (PUCRS), Porto Alegre, RS (Brazil). Programa de Graduacao em Engenharia e Tecnologia de Materiais

    2016-01-15

    The development of polyester based materials with enhanced properties as well as the use of post- consumer plastics as raw material has been an increasing market demand. This work aims the synthesis and characterization of aromatic polyesters/titanium dioxide nanocomposites from PET and using TiO{sub 2} (0, 1, 3 and 5% w/w) as filler by in situ polymerization. The results obtained by DSC, XRD and FTIR analyzes evidenced an interaction between the OH groups on the TiO{sub 2} surface with the ester groups of the polymer leading to decrease of the polymer crystallinity and of hydrophilicity. By SEM images was possible to note a homogeneous distribution of the filler into polymer matrix with 1%w/w TiO{sub 2} (average particle size of 199 nm), however for larger amounts of filler (3 and 5% TiO{sub 2}) revealed the aggregates formation. The results showed an improvement of thermal properties and hardness of the nanocomposites containing TiO{sub 2} nanoparticles compared to pristine polyester. (author)

  15. Preparation of Sulphur-containing Aromatic Amines by Reduction of the Corresponding Aromatic Nitro Compounds with Hydrazine Hydrate over Iron Oxide Hydroxide Catalyst

    Institute of Scientific and Technical Information of China (English)

    Qi Xun SHI; Rong Wen LU; Zhu Xia ZHANG; De Feng ZHAO

    2006-01-01

    Sulphur-containing aromatic nitro compounds were rapidly reduced to the corresponding amines in high yields by employing hydrazine hydrate as a hydrogen donor in the presence of iron oxide hydroxide catalyst. It was worth noting that the catalyst exhibited extremely high activity. The reduction could be completed within 20-50 min and the yields were up to 97-99 %.

  16. Determination of Polycyclic Aromatic Hydrocarbons in Water Using Nanoporous Material Prepared from Waste Avian Egg Shell

    Directory of Open Access Journals (Sweden)

    Abdulmumin A. Nuhu

    2012-01-01

    Full Text Available For the first time a biocompatible calcium carbonate vateritic polymorph was recrystallized from eggshell waste and its application for the extraction of polycyclic aromatic hydrocarbons in water samples was demonstrated. This nanoporous calcium carbonate was used as sorbent in dispersive micro-solid-phase extraction method. In this approach 50 mg of the calcium carbonate material having about 25 nm pores was placed in a 5 mL of water sample and ultrasonicated for 30 min. The cloudy sample was centrifuged at 13500 rpm for 2 min. The aqueous layer was then discarded and the CaCO3 material was dabbed dry with a lint-free tissue. The analytes were then desorbed with 100 μL of dichloromethane by ultrasonication for 5 min. Finally, the extract was analyzed by gas chromatography flame ionization detector. Experimental parameters affecting the extraction recoveries were optimized. Using optimum extraction conditions, calibration curves were linear with correlation coefficients of 0.9853 to 0.9973 over the concentration range of 0.05 to 30 ng/mL. This method showed a detection limit as low as 0.004 ng/mL (at signal-to-noise ratio of 3. Performance of the dispersive micro-solid-phase extraction was compared with a previously optimized solid-phase extraction technique. The developed method displayed good extraction recoveries (85 ± 8–110 ± 4% with high enhancement factors (388–1433-fold and good repeatability (% RSD < 13 and involved the use of minimal solvents. Analysis of seawater from Dammam Port revealed the presence of the analytes at concentrations between 0.15±0.01 and 13.43±1.54 ng/mL.

  17. Aromatic graphene

    Science.gov (United States)

    Das, D. K.; Sahoo, S.

    2016-04-01

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  18. Aromatic graphene

    Energy Technology Data Exchange (ETDEWEB)

    Das, D. K., E-mail: gour.netai@gmail.com [Department of Metallurgical and Material Science Engineering, National Institute of Technology Durgapur-713209, West Bengal (India); Sahoo, S., E-mail: sukadevsahoo@yahoo.com [Department of Physics, National Institute of Technology Durgapur-713209, West Bengal (India)

    2016-04-13

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  19. Preparation and characterization of biodegradable aliphatic-aromatic copolyesters/nano-SiO_2 hybrids via in situ melt polycondensation

    Institute of Scientific and Technical Information of China (English)

    Yan Zhang; Bing Tao Wang; Zheng Hong Guo; Jie Chen; Zheng Ping Fang

    2009-01-01

    In situ melt polycondensation was proposed to prepare biodegradable aliphatic-aromatic copolyesters/nano-SiO_2 hybrids based on terephthalic acid (TPA), poly(L-lactic acid) oligomer (OLLA), 1,4-butanediol (BDO) and nano-SiO_2. TEM and FT-IR characterizations confirmed that TPA, OLLA and BDO copolymerized to obtain biodegradable copolyesters, poly(butylene terephthalate-co-lactate) (PBTL), and the abundant hydroxyl groups on the surface of nano-SiO_2 provided potential sites for in situ grafting with the simultaneous resulted PBTL. The nano-SiO_2 particles were chemically wrapped with PBTL to form PBTL/nano-SiO2 hybrids. Due to the good dispersion and interfacial adhesion of nano-SiO_2 particles with the copolyester matrix, the tensile strength and the Young's modulus increased from 5.4 and 5.6 Mpa for neat PBTL to 16 and 390 Mpa for PBTL/nano-SiO_2 hybrids with 5 wt.% nano-SiO_2, respectively. The mechanical properties of PBTL/nano-SiO_2 hybrids were substantially improved.

  20. Effect of pyrolysis temperature on polycyclic aromatic hydrocarbons toxicity and sorption behaviour of biochars prepared by pyrolysis of paper mill effluent treatment plant sludge.

    Science.gov (United States)

    Devi, Parmila; Saroha, Anil K

    2015-09-01

    The polycyclic aromatic hydrocarbons (PAHs) toxicity and sorption behaviour of biochars prepared from pyrolysis of paper mill effluent treatment plant (ETP) sludge in temperature range 200-700 °C was studied. The sorption behaviour was found to depend on the degree of carbonization where the fractions of carbonized and uncarbonized organic content in the biochar act as an adsorption media and partition media, respectively. The sorption and partition fractions were quantified by isotherm separation method and isotherm parameters were correlated with biochar properties (aromaticity, polarity, surface area, pore volume and ash content). The risk assessment for the 16 priority EPA PAHs present in the biochar matrix was performed and it was found that the concentrations of the PAHs in the biochar were within the permissible limits prescribed by US EPA (except BC400 and BC500 for high molecular weight PAHs).

  1. An improved method for the analysis of volatile polyfluorinated alkyl substances in environmental air samples

    Energy Technology Data Exchange (ETDEWEB)

    Jahnke, Annika; Ahrens, Lutz [Institute for Coastal Research, GKSS Research Centre, Department of Environmental Chemistry, Geesthacht (Germany); University of Lueneburg, Institute for Ecology and Environmental Chemistry, Faculty of Environmental Sciences, Lueneburg (Germany); Ebinghaus, Ralf; Temme, Christian [Institute for Coastal Research, GKSS Research Centre, Department of Environmental Chemistry, Geesthacht (Germany); Berger, Urs [Norwegian Institute for Air Research (NILU), Polar Environmental Centre, Tromsoe (Norway); Stockholm University, Department of Applied Environmental Science (ITM), Stockholm (Sweden); Barber, Jonathan L. [Lancaster University, Department of Environmental Science, Faculty of Science and Technology, Lancaster (United Kingdom)

    2007-02-15

    This article describes the optimisation and validation of an analytical method for the determination of volatile polyfluorinated alkyl substances (PFAS) in environmental air samples. Airborne fluorinated telomer alcohols (FTOHs) as well as fluorinated sulfonamides and sulfonamidoethanols (FOSAs/FOSEs) were enriched on glass-fibre filters (GFFs), polyurethane foams (PUFs) and XAD-2 resin by means of high-volume air samplers. Sensitive and selective determination was performed using gas chromatography/chemical ionisation-mass spectrometry (GC/CI-MS). Five mass-labelled internal standard (IS) compounds were applied to ensure the accuracy of the analytical results. No major blank problems were encountered. Recovery experiments were performed, showing losses of the most volatile compounds during extraction and extract concentration as well as strong signal enhancement for FOSEs due to matrix effects. Breakthrough experiments revealed losses of the most volatile FTOHs during sampling, while FOSAs/FOSEs were quantitatively retained. Both analyte losses and matrix effects could be remediated by application of adequate mass-labelled IS. Method quantification limits (MQLs) of the optimised method ranged from 0.2 to 2.5 pg/m{sup 3} for individual target compounds. As part of the method validation, an interlaboratory comparison of instrumental quantification methods was conducted. The applicability of the method was demonstrated by means of environmental air samples from an urban and a rural location in Northern Germany. (orig.)

  2. Polyfluorinated compounds in waste water treatment plant effluents and surface waters along the River Elbe, Germany.

    Science.gov (United States)

    Ahrens, Lutz; Felizeter, Sebastian; Sturm, Renate; Xie, Zhiyong; Ebinghaus, Ralf

    2009-09-01

    Polyfluorinated compounds (PFCs) were investigated in waste water treatment plant (WWTP) effluents and surface waters of the River Elbe from samples collected in 2007. Concentrations of various PFCs, including C(4)-C(8) perfluorinated sulfonates (PFSAs), C(6) and C(8) perfluorinated sulfinates, 6:2 fluorotelomer sulfonate, C(5)-C(13) perfluorinated carboxylic acids (PFCAs), C(4) and C(8) perfluoroalkyl sulfonamides and 6:2, 8:2 and 10:2 unsaturated fluorotelomercarboxylic acids were quantified. Sum PFC concentrations of the river water ranged from 7.6 to 26.4ngL(-1), whereas sum PFC concentrations of WWTP effluents were approximately 5-10 times higher (30.5-266.3ngL(-1)), indicating that WWTPs are potential sources of PFCs in the marine environment. PFC patterns of different WWTP effluents varied depending on the origin of the waste water, whereas the profile of PFC composition in the river water was relatively constant. In both kinds of water samples, perfluorooctanoic acid (PFOA) was the major PFC, whereas perfluorobutane sulfonate (PFBS) was the predominant PFSA.

  3. Landfills as sources of polyfluorinated compounds, polybrominated diphenyl ethers and musk fragrances to ambient air

    Science.gov (United States)

    Weinberg, Ingo; Dreyer, Annekatrin; Ebinghaus, Ralf

    2011-02-01

    In order to investigate landfills as sources of polyfluorinated compounds (PFCs), polybrominated diphenyl ethers (PBDEs) and synthetic musk fragrances to the atmosphere, air samples were simultaneously taken at two landfills (one active and one closed) and two reference sites using high volume air samplers. Contaminants were accumulated on glass fiber filters (particle phase) and PUF/XAD-2/PUF cartridges (gas phase), extracted by methyl-tert butyl ether/acetone (neutral PFCs), methanol (ionic PFCs) or hexane/acetone (PBDEs, musk fragrances), and detected by GC-MS (neutral PFCs, PBDEs, musk fragrances) or HPLC-MS/MS (ionic PFCs). Total concentrations ranged from 84 to 706 pg m -3 (volatile PFCs, gas phase), from

  4. Preparation of polydimethylsiloxane/beta-cyclodextrin/divinylbenzene coated "dumbbell-shaped" stir bar and its application to the analysis of polycyclic aromatic hydrocarbons and polycyclic aromatic sulfur heterocycles compounds in lake water and soil by high performance liquid chromatography.

    Science.gov (United States)

    Yu, Chunhe; Yao, Zhimin; Hu, Bin

    2009-05-01

    A "dumbbell-shaped" stir bar was proposed to prevent the friction loss of coating during the stirring process, and thus prolonged the lifetime of stir bars. The effects of the coating components, including polydimethylsiloxane (PDMS), beta-cyclodextrin (beta-CD) and divinylbenzene (DVB) were investigated according to an orthogonal experimental design, using three polycyclic aromatic hydrocarbons (PAHs) and four polycyclic aromatic sulfur heterocycles (PASHs) as model analytes. Four kinds of stir bars coated with PDMS, PDMS/beta-CD, PDMS/DVB and PDMS/beta-CD/DVB were prepared and their extraction efficiencies for the target compounds were compared. It was demonstrated that PDMS/beta-CD/DVB-coated stir bar showed the best affinity to the studied compounds. The preparation reproducibility of PDMS/beta-CD/DVB-coated stir bar ranged from 3.2% to 15.2% (n = 6) in one batch, and 5.2% to 13.4% (n = 6) among batches. The "dumbbell-shaped" stir bar could be used for about 40 times, which were 10 extractions more than a normal stir bar. The prepared PDMS/beta-CD/DVB-coated "dumbbell-shaped" stir bar was used for stir bar sorptive extraction (SBSE) of PAHs and PASHs and the desorbed solution was introduced into HPLC-UV for subsequent analysis. The limits of detection of the proposed method for seven target analytes ranged from 0.007 to 0.103 microg L(-1), the relative standard deviations were in the range of 6.3-12.9% (n = 6, c = 40 microg L(-1)), and the enrichment factors were 19-86. The proposed method was successfully applied to the analysis of seven target analytes in lake water and soil samples.

  5. 煤制芳香化合物的探讨%Investigation on Preparation of Aromatic Compounds from Coal

    Institute of Scientific and Technical Information of China (English)

    王德海; 常丽萍

    2011-01-01

    This paper commented on the latest development of the coal pyrolysis, catalytic conversion and the technology of abstracting high value-added aromatic compounds from coal. Based on relevant researches home and abroad, the paper laid emphasis on discussing the technology of coal pyrolysis and coal hydro liquefaction for abstracting aromatic chemicals including such technologies as coal rapid pyrolysis and directional catalytic conversion technology of the coal pyrolysate. A new approach of producing high value-added aromatic product from coal was put forward.%综述了国内外两种煤制芳香化学品技术的研究现状,一种为煤热解制芳香化学品,包括煤快速热解和煤热解物定向催化转化技术;另一种为煤加氢液化制芳香化学品技术.今后在加强煤制芳香化学品研究的同时,还应加强对煤液化产品分离技术的研究.

  6. Waste water treatment plants as sources of polyfluorinated compounds, polybrominated diphenyl ethers and musk fragrances to ambient air

    Energy Technology Data Exchange (ETDEWEB)

    Weinberg, Ingo, E-mail: ingoweinberg@web.d [GKSS Research Centre Geesthacht, Max Planck Str. 1, 21502 Geesthacht (Germany); Leuphana University Lueneburg, Institute for Ecology and Environmental Chemistry, Scharnhorststr. 1, 21335 Lueneburg (Germany); Dreyer, Annekatrin; Ebinghaus, Ralf [GKSS Research Centre Geesthacht, Max Planck Str. 1, 21502 Geesthacht (Germany)

    2011-01-15

    To investigate waste water treatment plants (WWTPs) as sources of polyfluorinated compounds (PFCs), polybrominated diphenyl ethers (PBDEs) and synthetic musk fragrances to the atmosphere, air samples were simultaneously taken at two WWTPs and two reference sites using high volume samplers. Contaminants were accumulated on glass fiber filters and PUF/XAD-2/PUF cartridges, extracted compound-dependent by MTBE/acetone, methanol, or hexane/acetone and detected by GC-MS or HPLC-MS/MS. Total (gas + particle phase) concentrations ranged from 97 to 1004 pg m{sup -3} (neutral PFCs), polyfluorinated compounds (PFCs) and polybrominated diphenyl ethers (PBDEs) to the atmosphere

  7. Novel Easy Preparations of Some Aromatic Iodine(I, III, and V Reagents, Widely Applied in Modern Organic Synthesis

    Directory of Open Access Journals (Sweden)

    Lech Skulski

    2003-01-01

    Full Text Available We report our novel (or considerably improved methods for the synthesis of aromatic iodides, (dichloroiodoarenes, (diacetoxyiodoarenes, [bis(trifluoroacetoxy-iodo]arenes, iodylarenes and diaryliodonium salts, as well as some facile, oxidative anion metatheses in crude diaryliodonium or tetraalkylammonium halides and, for comparison, potassium halides. All our formerly published papers were discussed and explained in our review “Organic Iodine(I, III, and V Chemistry: 10 Years of Development at the Medical University of Warsaw, Poland” (1990-2000 [1]. Our newest results are discussed below.

  8. Analysis of per- and polyfluorinated alkyl substances in air samples from Northwest Europe.

    Science.gov (United States)

    Barber, Jonathan L; Berger, Urs; Chaemfa, Chakra; Huber, Sandra; Jahnke, Annika; Temme, Christian; Jones, Kevin C

    2007-06-01

    Air samples were collected from 4 field sites in Europe: 2 sites from the UK, Hazelrigg (semi-rural) and Manchester (urban); 1 site from Ireland: Mace Head (rural); and 1 site from Norway: Kjeller (rural). Additionally, air samples were taken from indoor locations in Tromsø, Norway. Air samples were collected using high-volume air samplers employing sampling modules containing glass-fibre filters (GFFs, particle phase), and glass columns with a polyurethane foam (PUF)-XAD-2-PUF sandwich (gaseous phase). Typical outdoor air volumes required for the determination of per- and polyfluorinated alkyl substances (PFAS) ranged from 500-1800 m3. GFFs and PUF-XAD columns were analysed separately to obtain information on phase partitioning. All air samples were analysed for volatile, neutral PFAS, with selected GFF samples halved for analysis of both neutral and airborne particle-bound ionic PFAS. Volatile PFAS were extracted from air samples by cold-column immersion with ethyl acetate, and were analysed by gas chromatography-mass spectrometry in the positive chemical ionisation mode (GC-PCI-MS). Ionic PFAS were extracted from GFFs by sonication in methanol, and were analysed by liquid chromatography-time-of-flight-mass spectrometry (LC-TOF-MS) using electrospray ionisation in the negative ion mode (ESI-). Perfluorooctanoate (PFOA) was often the predominant analyte found in the particulate phase at concentrations ranging from 1-818 pg m(-3), and 8:2 fluorotelomer alcohol (FTOH) and 6:2 FTOH were the prevailing analytes found in the gas phase, at 5-243 pg m(-3) and 5-189 pg m(-3), respectively. These three PFAS were ubiquitous in air samples. Many other PFAS, both neutral and ionic, were also present, and levels of individual analytes were in the 1-125 pg m(-3) range. Levels of some PFAS exceeded those of traditional persistent organic pollutants (POPs). In this study, the presence of 12:2 FTOH and fluorotelomer olefins (FTolefins), and ionic PFAS other than perfluorooctane

  9. Polyfluorinated compounds in ambient air from ship- and land-based measurements in northern Germany

    Science.gov (United States)

    Dreyer, Annekatrin; Ebinghaus, Ralf

    Neutral volatile and semi-volatile polyfluorinated organic compounds (PFC) and ionic perfluorinated compounds were determined in air samples collected at two sites in the vicinity of Hamburg, Germany, and onboard the German research vessel Atair during a cruise in the German Bight, North Sea, in early November 2007. PUF/XAD-2/PUF cartridges and glass fiber filters as sampling media were applied to collect several fluorotelomer alcohols (FTOH), fluorotelomer acrylates (FTA), perfluoroalkyl sulfonamides (FASA), and perfluoroalkyl sulfonamido ethanols (FASE) in the gas- and particle-phase as well as a set of perfluorinated carboxylates (PFCA) and sulfonates (PFSA) in the particle-phase. This study presents the distribution of PFC in ambient air of the German North Sea and in the vicinity of Hamburg for the first time. Average total PFC concentrations in and around Hamburg (180 pg m -3) were higher than those observed in the German Bight (80 pg m -3). In the German Bight, minimum-maximum gas-phase concentrations of 17-82 pg m -3 for ΣFTOH, 2.6-10 pg m -3 for ΣFTA, 10-15 pg m -3 for ΣFASA, and 2-4.4 pg m -3 for ΣFASE were determined. In the vicinity of Hamburg, minimum-maximum gas-phase concentrations of 32-204 pg m -3 for ΣFTOH, 3-26 pg m -3 for ΣFTA, 3-18 pg m -3 for ΣFASA, and 2-15 pg m -3 for ΣFASE were detected. Concentrations of perfluorinated acids were in the range of 1-11 pg m -3. FTOH clearly dominated the substance spectrum; 8:2 FTOH occurred in maximum proportions. Air mass back trajectories, cluster, and correlation analyses revealed that the air mass origin and thus medium to long range atmospheric transport was the governing parameter for the amount of PFC in ambient air. Southwesterly located source regions seemed to be responsible for elevated PFC concentrations, local sources appeared to be of minor importance.

  10. Kinetics and thermodynamics of adsorption of ionizable aromatic compounds from aqueous solutions by as-prepared and oxidized multiwalled carbon nanotubes.

    Science.gov (United States)

    Sheng, G D; Shao, D D; Ren, X M; Wang, X Q; Li, J X; Chen, Y X; Wang, X K

    2010-06-15

    The adsorption of 1-naphthylamine, 1-naphthol and phenol on as-prepared and oxidized multiwalled carbon nanotubes (MWCNTs) has been investigated. The results illustrated that both as-prepared and oxidized MWCNTs showed high adsorption capacity for the three ionizable aromatic compounds (IACs) studied. Oxidation of MWCNTs increased the surface area and the pore volume, and introduced oxygen-containing functional groups to the surfaces of MWCNTs, which depressed the adsorption of IACs on MWCNTs. Both Langmuir and Freundlich models described the adsorption isotherms very well and the adsorption thermodynamic parameters (DeltaG degrees, DeltaH degrees and DeltaS degrees) were measured. The adsorption for 1-naphthylamine, 1-naphthol and phenol is general spontaneous and thermodynamically favorable. The adsorption of phenol is an exothermic process, whereas the adsorption of 1-naphthylamine and 1-naphthol is an endothermic process. Results of this work are of great significance for the environmental application of MWCNTs for the removal of IACs from large volume of aqueous solutions.

  11. Preparation, statistical optimization, and in vitro characterization of insulin nanoparticles composed of quaternized aromatic derivatives of chitosan.

    Science.gov (United States)

    Mahjub, Reza; Dorkoosh, Farid Abedin; Amini, Mohsen; Khoshayand, Mohammad Reza; Rafiee-Tehrani, Morteza

    2011-12-01

    The aim of this study was the preparation, optimization, and in vitro characterization of insulin nanoparticles composed of methylated N-(4-N,N-dimethylaminobenzyl), methylated N-(4-pyridinyl), and methylated N-(benzyl) chitosan. Three types of derivatives were synthesized by the Schiff base reaction followed by quaternization. Nanoparticles were prepared by the polyelectrolyte complexation method. Experimental design D-optimal response surface methodology was used for the optimization of the nanoparticles. Independent variables were pH of polymer solution, concentration ratio of polymer/insulin, and also polymer type. Dependent variables include size, zeta potential, polydispersity index (PdI), and entrapment efficiency (EE%). Optimized nanoparticles were studied morphologically by transmission electron microscopy (TEM), and in vitro release of insulin from nanoparticles were determined under phosphate buffer (pH = 6.8) condition. Although a quadratic model has been chosen to fit the responses for size, PdI, and EE%, the zeta potential of the particles has been best fitted to 2-FI model. The optimized nanoparticles were characterized. The size of the particles were found to be 346, 318, and 289 nm; zeta potentials were 28.5, 27.7, and 22.2 mV; PdI of particles were 0.305, 0.333, and 0.437; and calculated EE% were 70.3%, 84.5%, and 69.2%, for methylated (aminobenzyl), methylated (pyridinyl), and methylated (benzyl) chitosan nanoparticles, respectively. TEM images show separated and non-aggregated nanoparticles with sub-spherical shapes and smooth surfaces. An in vitro release study of the prepared nanoparticles showed that the cumulative percentage of insulin released from the nanoparticles were 47.1%, 38%, and 68.7% for (aminobenzyl), (pyridinyl), and (benzyl) chitosan, respectively, within 300 min.

  12. Sample preparation of sewage sludge and soil samples for the determination of polycyclic aromatic hydrocarbons based on one-pot microwave-assisted saponification and extraction.

    Science.gov (United States)

    Pena, M Teresa; Pensado, Luis; Casais, M Carmen; Mejuto, M Carmen; Cela, Rafael

    2007-04-01

    A microwave-assisted sample preparation (MASP) procedure was developed for the analysis of polycyclic aromatic hydrocarbons (PAHs) in sewage sludge and soil samples. The procedure involved the simultaneous microwave-assisted extraction of PAHs with n-hexane and the hydrolysis of samples with methanolic potassium hydroxide. Because of the complex nature of the samples, the extracts were submitted to further cleaning with silica and Florisil solid-phase extraction cartridges connected in series. Naphthalene, acenaphthene, fluorene, phenanthrene, anthracene, fluoranthene, pyrene, benz[a]anthracene, chrysene, benzo[e]pyrene, benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, dibenz[a,h]anthracene, benzo[g,h,i]perylene, and indeno[1,2,3-cd]pyrene, were considered in the study. Quantification limits obtained for all of these compounds (between 0.4 and 14.8 microg kg(-1) dry mass) were well below of the limits recommended in the USA and EU. Overall recovery values ranged from 60 to 100%, with most losses being due to evaporation in the solvent exchange stages of the procedure, although excellent extraction recoveries were obtained. Validation of the accuracy was carried out with BCR-088 (sewage sludge) and BCR-524 (contaminated industrial soil) reference materials.

  13. Sample preparation of sewage sludge and soil samples for the determination of polycyclic aromatic hydrocarbons based on one-pot microwave-assisted saponification and extraction

    Energy Technology Data Exchange (ETDEWEB)

    Pena, M.T.; Pensado, Luis; Casais, M.C.; Mejuto, M.C.; Cela, Rafael [Universidad de Santiago de Compostela, Dpto. Quimica Analitica, Nutricion y Bromatologia. Instituto de Investigacion y Analisis Alimentario, Santiago de Compostela (Spain)

    2007-04-15

    A microwave-assisted sample preparation (MASP) procedure was developed for the analysis of polycyclic aromatic hydrocarbons (PAHs) in sewage sludge and soil samples. The procedure involved the simultaneous microwave-assisted extraction of PAHs with n-hexane and the hydrolysis of samples with methanolic potassium hydroxide. Because of the complex nature of the samples, the extracts were submitted to further cleaning with silica and Florisil solid-phase extraction cartridges connected in series. Naphthalene, acenaphthene, fluorene, phenanthrene, anthracene, fluoranthene, pyrene, benz[a]anthracene, chrysene, benzo[e]pyrene, benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, dibenz[a,h]anthracene, benzo[g,h,i]perylene, and indeno[1,2,3-cd]pyrene, were considered in the study. Quantification limits obtained for all of these compounds (between 0.4 and 14.8 {mu}g kg{sup -1} dry mass) were well below of the limits recommended in the USA and EU. Overall recovery values ranged from 60 to 100%, with most losses being due to evaporation in the solvent exchange stages of the procedure, although excellent extraction recoveries were obtained. Validation of the accuracy was carried out with BCR-088 (sewage sludge) and BCR-524 (contaminated industrial soil) reference materials. (orig.)

  14. Superconductivity in aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kubozono, Yoshihiro, E-mail: kubozono@cc.okayama-u.ac.jp [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Japan Science and Technology Agency, ACT-C, Kawaguchi 332-0012 (Japan); Goto, Hidenori; Jabuchi, Taihei [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Yokoya, Takayoshi [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Kambe, Takashi [Department of Physics, Okayama University, Okayama 700-8530 (Japan); Sakai, Yusuke; Izumi, Masanari; Zheng, Lu; Hamao, Shino; Nguyen, Huyen L.T. [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya [Center of Science and Technology under Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)

    2015-07-15

    Highlights: • Aromatic superconductor is one of core research subjects in superconductivity. Superconductivity is observed in certain metal-doped aromatic hydrocarbons. Some serious problems to be solved exist for future advancement of the research. This article shows the present status of aromatic superconductors. - Abstract: ‘Aromatic hydrocarbon’ implies an organic molecule that satisfies the (4n + 2) π-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (K{sub x}picene, five benzene rings). Its superconducting transition temperatures (T{sub c}’s) were 7 and 18 K. Recently, we found a new superconducting K{sub x}picene phase with a T{sub c} as high as 14 K, so we now know that K{sub x}picene possesses multiple superconducting phases. Besides K{sub x}picene, we discovered new superconductors such as Rb{sub x}picene and Ca{sub x}picene. A most serious problem is that the shielding fraction is ⩽15% for K{sub x}picene and Rb{sub x}picene, and it is often ∼1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of T{sub c} that is clearly

  15. The OH-initiated atmospheric chemical reactions of polyfluorinated dibenzofurans and polychlorinated dibenzofurans: A comparative theoretical study.

    Science.gov (United States)

    Zeng, Xiaolan; Chen, Jing; Qu, Ruijuan; Pan, Xiaoxue; Wang, Zunyao

    2017-02-01

    The atmospheric chemical reactions of some polyfluorinated dibenzofurans (PFDFs) and polychlorinated dibenzofurans (PCDFs), initiated by OH radical, were investigated by performing theoretical calculations using density functional theory (DFT) and B3LYP/6-311++G(2df,p) method. The obtained results indicate that OH addition reactions of PFDFs and PCDFs occurring at C1∼4 and CA sites are thermodynamic spontaneous changes and the branching ratio of the PF(C)DF-OH adducts is decided primarily by kinetic factor. The OH addition reactions of PFDFs taking place at fluorinated C1∼4 positions are kinetically comparable with those occurring at nonfluorinated C1∼4 positions, while OH addition reactions of PCDFs occurring at chlorinated C1∼4 sites are negligible. The total rate constants of the addition reactions of PFDFs or PCDFs become smaller with consecutive fluorination or chlorination, and substituting at C1 position has more adverse effects than substitution at other sites. The succedent O2 addition reactions of PF(C)DF-OH adducts are thermodynamic nonspontaneous processes under the atmospheric conditions, and have high Gibbs free energies of activation (ΔrG(≠)). The substituted dibenzofuranols are the primary oxidation products for PCDFs under the atmospheric conditions. However, other oxidative products may also be available for PFDFs besides substituted dibenzofuranols.

  16. Responses of antioxidant defense system to polyfluorinated dibenzo-p-dioxins (PFDDs) exposure in liver of freshwater fish Carassius auratus.

    Science.gov (United States)

    Li, Chenguang; Qin, Li; Qu, Ruijuan; Sun, Ping; Wang, Zunyao

    2016-04-01

    In this study, we evaluated the toxicity of ten polyfluorinated dibenzo-p-dioxins (PFDDs) congeners to freshwater fish Carassius auratus, by determining the antioxidative responses and lipid peroxidation in the liver after the fish were injected with two different concentrations (10 and 100 µmol/kg) of individual PFDDs for 3 and 14 days. The results showed that oxidative stress was obviously induced in some PFDDs-treated groups, as implied by the significantly inhibited antioxidants levels (superoxide dismutase, catalase, reduced glutathione, and glutathione S-transferase) and elevated malondialdehyde content. In addition, the oxidative stress inducing ability was variable for different PFDDs congeners, which was related with the substitution number and position of fluorine atom. Based on the calculated integrated biomarker response (IBR) values, the toxicity was ranked as 2,3,7,8-FDD>Octa-FDD>1,2,3,4,7-FDD>1,3,6,8-FDD>1,2,3,4,6,7-FDD>1,2,6,7-FDD>1,2,7-FDD>DD>2,7-FDD>2-FDD. This study can enhance the general understanding of the PFDDs induced oxidative stress in aquatic organisms.

  17. Polyfluorinated compounds in the atmosphere along a cruise pathway from the Japan Sea to the Arctic Ocean.

    Science.gov (United States)

    Cai, Minghong; Xie, Zhiyong; Möller, Axel; Yin, Zhigao; Huang, Peng; Cai, Minggang; Yang, Haizhen; Sturm, Renate; He, Jianfeng; Ebinghaus, Ralf

    2012-05-01

    Neutral polyfluorinated alkyl substances (PFASs) were measured in high-volume air samples collected on board the research vessel Snow Dragon during the 4th Chinese National Arctic Expedition from the Japan Sea to the Arctic Ocean in 2010. Four volatile and semi-volatile PFASs (fluorotelomer alcohols (FTOHs), fluorotelomer acids (FTAs), perfluoroalkyl sulfonamides (FASAs), and sulfonamidoethanols (FASEs)) were analyzed respectively in the gas and particle phases. FTOHs were the dominant PFASs in the gas phase (61-358pgm(-3)), followed by FTAs (5.2-47.9pgm(-3)), FASEs (1.9-15.0pgm(-3)), and FASAs (0.5-2.1pgm(-3)). In the particle phase, the dominant PFAS class was FTOHs (1.0-9.9pgm(-3)). The particle-associated fraction followed the general trend of FASEs>FASAs>FTOHs. Compared with other atmospheric PFAS measurements, the ranges of concentrations of ∑FTOH in this study were similar to those reported from Toronto, north America (urban), the northeast Atlantic Ocean, and northern Germany. Significant correlations between FASEs in the gas phase and ambient air temperature indicate that cold surfaces such as sea-ice, snowpack, and surface seawater influence atmospheric FASEs.

  18. Development of a sample preparation procedure of sewage sludge samples for the determination of polycyclic aromatic hydrocarbons based on selective pressurized liquid extraction.

    Science.gov (United States)

    Pena, Maria Teresa; Casais, Maria Carmen; Mejuto, Maria Carmen; Cela, Rafael

    2010-01-22

    An automated, simple and sensitive method based on selective pressurized liquid extraction (SPLE) was developed for the analysis of polycyclic aromatic hydrocarbons in sewage sludge samples. The new sample preparation procedure consists of on-line clean-up by inclusion of sorbents in the extraction cell, and combines elevated temperatures and pressures with liquid solvents to achieve fast and efficient removal of target analytes from complex sewage sludge matrices. The effects of various operational parameters (e.g. sample pretreatment, extraction solvent, temperature, pressure, static time, etc.) on the performance of SPLE procedure were carefully investigated, obtaining the best results when SPLE conditions were fixed at 140 degrees C, 1500 psi, static time of 5 min and n-hexane as extraction solvent. A new programmed temperature vaporization-gas chromatography-tandem mass spectrometry method based on large volume injection (PTV-LVI-GC-MS/MS) was also developed and analytical determinations were performed by high performance liquid chromatography coupled with fluorescence detection and GC-MS/MS. The extraction yields for the different compounds obtained by SPLE ranged from 84.8% to 106.6%. Quantification limits obtained for all of these studied compounds (between 0.0001 and 0.005 microg g(-1), dry mass) were well below the regulatory limits for all compounds considered. To test the accuracy of the SPLE technique, the optimized methodology was applied to the analysis of a certified reference material (sewage sludge (BCR088)) and a reference material (sewage sludge (RTC-CNS312-04)), with excellent results.

  19. Preparation of a novel ionic hybrid stationary phase by non-covalent functionalization of single-walled carbon nanotubes with amino-derivatized silica gel for fast HPLC separation of aromatic compounds.

    Science.gov (United States)

    Aral, Hayriye; Çelik, K Serdar; Aral, Tarık; Topal, Giray

    2016-03-01

    Single-walled carbon nanotubes (SWCNTs) were immobilized on spherical silica gel with a 4-μm average particle size and a 60-Å average pore size. The amino-derivatized silica gel was non-covalently coated with carboxylated SWCNTs to preserve the structure of the nanotubes and their physico-chemical properties. The novel ionic hybrid stationary phase was characterized by scanning electron microscopy (SEM), infra-red (IR) spectroscopy and elemental analysis, and then, it was used to fill an empty 150×4.6mm(2) high-performance liquid chromatography (HPLC) column. Chromatographic parameters, such as the theoretical plate number, retention factor and peak asymmetry factor, and analytical parameters, such as the limit of detection (LOD), limit of quantification (LOQ), linear range, calibration equation, and R(2) value, and quantitative analysis parameters were calculated for all of the analytes. Using different mobile phases, five different classes of aromatic hydrocarbons were separated in a very short analysis time of 4-8min. Furthermore, a high theoretical plate number (up to 25000) and an excellent peak asymmetry factor (1.0) were obtained. The results showed that the surface of the SWNTs had very strong interactions with aromatic groups, therefore providing high selectivity for the separation of different classes of aromatic compounds. This study indicates that SWCNTs enable the extension of the application range of the newly prepared stationary phases for the fast separation of aromatic compounds by HPLC.

  20. The doping effect of fluorinated aromatic hydrocarbon solvents on the performance of common olefin metathesis catalysts: application in the preparation of biologically active compounds.

    Science.gov (United States)

    Samojłowicz, Cezary; Bieniek, Michał; Zarecki, Andrzej; Kadyrov, Renat; Grela, Karol

    2008-12-21

    Aromatic fluorinated hydrocarbons, used as solvents for olefin metathesis reactions, catalysed by standard commercially available Ru precatalysts, allow substantially higher yields to be obtained, especially of challenging substrates, including natural and biologically active compounds.

  1. Preparation of Mg-Al layered double hydroxides intercalated with 1,3,6-naphthalenetrisulfonate and 3-amino-2,7-naphthalenedisulfonate and assessment of their selective uptake of aromatic compounds from aqueous solutions

    Science.gov (United States)

    Kameda, Tomohito; Yamazaki, Takashi; Yoshioka, Toshiaki

    2010-05-01

    Mg-Al layered double hydroxides (Mg-Al LDHs) intercalated with 1,3,6-naphthalenetrisulfonate (NTS 3-) and 3-amino-2,7-naphthalenedisulfonate (ANDS 2-) ions were prepared by coprecipitation and were characterized by X-ray diffraction and chemical analyses. Based on X-ray diffraction patterns, the naphthalene rings of NTS 3- and ANDS 2- were most likely oriented parallel to the brucite-like host layers of the Mg-Al LDH, midway between layers. The prepared Mg-Al LDHs were able to selectively take up aromatics from aqueous solutions, and the order of percentage uptake was as follows: 1,3-dinitrobenzene > nitrobenzene > benzaldehyde > N,N-dimethylaniline > anisole > 1,2-dimethoxybenzene. The differences in the extent of π-π stacking interactions occurring between the benzene rings of the aromatics and the naphthalene ring of the intercalated NTS 3- and ANDS 2- probably resulted in these differences among the absorbed quantities of the various aromatics.

  2. Dehalogenation of aromatics by nucleophilic aromatic substitution.

    Science.gov (United States)

    Sadowsky, Daniel; McNeill, Kristopher; Cramer, Christopher J

    2014-09-16

    Nucleophilic aromatic substitution has been implicated as a mechanism for both the biotic and abiotic hydrodehalogenation of aromatics. Two mechanisms for the aqueous dehalogenation of aromatics involving nucleophilic aromatic substitution with hydride as a nucleophile are investigated using a validated density functional and continuum solvation protocol. For chlorinated and brominated aromatics, nucleophilic addition ortho to carbon-halogen bonds via an anionic intermediate is predicted to be the preferred mechanism in the majority of cases, while concerted substitution is predicted to be preferred for most fluorinated aromatics. Nucleophilic aromatic substitution reactions with the hydroxide and hydrosulfide anions as nucleophiles are also investigated and compared.

  3. Fluorinated aromatic diamine

    Science.gov (United States)

    Jones, Robert J. (Inventor); O'Rell, Michael K. (Inventor); Hom, Jim M. (Inventor)

    1980-01-01

    This invention relates to a novel aromatic diamine and more particularly to the use of said diamine for the preparation of thermally stable high-molecular weight polymers including, for example, polyamides, polyamideimides, polyimides, and the like. This diamine is obtained by reacting a stoichometric amount of a disodium salt of 2,2-bis(4-hydroxyphenyl) hexafluoropropane with 4-chloronitrobenzene to obtain an intermediate, 2,2-bis[4-(4-nitrophenoxy)phenyl] hexafluoropropane, which is reduced to the corresponding 2,2-bis[4-(4-aminophenoxy)phenyl] hexafluoropropane.

  4. 6:2 Chlorinated polyfluorinated ether sulfonate, a PFOS alternative, induces embryotoxicity and disrupts cardiac development in zebrafish embryos.

    Science.gov (United States)

    Shi, Guohui; Cui, Qianqian; Pan, Yitao; Sheng, Nan; Sun, Sujie; Guo, Yong; Dai, Jiayin

    2017-04-01

    As an alternative to perfluorooctanesulfonate (PFOS), 6:2 chlorinated polyfluorinated ether sulfonate (commercial name: F-53B) has been used as a mist suppressant in Chinese electroplating industries for over 30 years. It has been found in the environment and fish, and one acute assay indicated F-53B was moderately toxic. However, the toxicological information on this compound was incomplete and insufficient for assessment of their environment impact. The object of this study was to examine the developmental toxicity of F-53B using zebrafish embryos. Zebrafish embryos were incubated in 6-well plates with various concentrations of F-53B (1.5, 3, 6, and 12mg/L) from 6 to 132h post fertilization (hpf). Results showed that F-53B exposure induced developmental toxicity, including delayed hatching, increased occurrence of malformations, and reduced survival. Malformations, including pericardial and yolk sac edemas, abnormal spines, bent tails, and uninflated swim bladders, appeared at 84 hpf, and increased with time course and dose. A decrease in survival percentages was noted in the 6 and 12mg/L F-53B-treated groups at 132 hpf. Continuous exposure to 3mg/L F-53B resulted in high accumulation levels in zebrafish embryos, suggesting an inability for embryos to eliminate this compound and a high cumulative risk to fish. We also examined the cardiac function of embryos at specific developmental stages following exposure to different concentrations, and found that F-53B induced cardiac toxicity and reduced heart rate. Even under low F-53B concentration, o-dianisidine staining results showed significant decrease of relative erythrocyte number at 72 hpf before the appearance of observed effects of F-53B on the heart. To elucidate the underlying molecular changes, genes involved in normal cardiac development were analyzed using real-time qPCR in the whole-body of zebrafish embryos. F-53B inhibited the mRNA expression of β-catenin (ctnnb2) and wnt3a. The mRNA levels of

  5. ELECTRONIC EFFECTS OF POLYFLUORINATED SUBSTITUENTS ON THE POLYMERIZATION AND THE PROPERTIES OF POLYTHIOPHENES

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xuqing; SHEN Xueming; YANG Shiyong; LU Wei; ZHANG Jingyun

    1997-01-01

    Three series of polythiophenes containing fluoroalkoxy and fluoroether substituents were prepared by electrochemical polymerization. The effect of substituents with fluoroalkoxy or ether functional groups on the electrochemical polymerization of thiophene monomers and properties of the obtained polymers were analyzed. The introduction of a fluoroether functional group at the 3-position of the thiophene ring leads to an increase of the oxidation potential of the monomer and to a decrease of the conductivity of the resulting polymers, even with the use of a CH2 group as spacer. Conversely, the presence of an oxygen atom directly at the 3-position of the thiophene ring, which offsets the negative withdrawing effect of fluoroalkyl groups, facilitates the synthesis of highly conducting polythiophenes.

  6. Preparation

    Directory of Open Access Journals (Sweden)

    M.M. Dardir

    2014-03-01

    Full Text Available Some hexanamide-mono and di-linoleniate esters were prepared by the reaction of linolenic acid and hexanamide (derived from the reaction of hexanoic acid and diethanolamine. The chemical structure for the newly prepared hexanamide-mono and di-linoleniate esters were elucidated using elemental analysis, (FTIR, H 1NMR and chemical ionization mass spectra (CI/Ms spectroscopic techniques. The results of the spectroscopic analysis indicated that they were prepared through the right method and they have high purity. The new prepared esters have high biodegradability and lower toxicity (environmentally friendly so they were evaluated as a synthetic-based mud (ester-based mud for oil-well drilling fluids. The evaluation included study of the rheological properties, filtration and thermal properties of the ester based-muds formulated with the newly prepared esters compared to the reference commercial synthetic-based mud.

  7. Dehydrogenative Aromatization of Saturated Aromatic Compounds by Graphite Oxide and Molecular Sieves

    Institute of Scientific and Technical Information of China (English)

    张轩; 徐亮; 王希涛; 马宁; 孙菲菲

    2012-01-01

    Graphite oxide (GO) has attracted much attention of material and catalysis chemists recently. Here we describe a combination of GO and molecular sieves for the dehydrogenative aromatization. GO prepared through improved Hummers method showed high oxidative activity in this reaction. Partially or fully saturated aromatic compounds were converted to their corresponding dehydrogenated aromatic products with fair to excellent conversions and selectivities. As both GO and molecular sieves are easily available, cheap, lowly toxic and have good tolerance to various functional groups, this reaction provides a facile approach toward aromatic compounds from their saturated precursors

  8. Research Progresses in Sample Preparation Techniques for Determination of Aromatic Amines%芳香胺测定中试样制备技术的研究进展

    Institute of Scientific and Technical Information of China (English)

    杨敏; 耿平兰; 彭黔荣; 寻思颖; 冯永渝

    2011-01-01

    介绍了目前应用在环境芳香胺测定中的固相微萃取(SPME)、柱内固相微萃取(INSPME)、搅动棒吸附萃取(SBSE)、液相微萃取(LPME)、离子液体分散液液微萃取(IL - DLLME)等试样的提取、富集、浓缩技术.%Several extraction, enrichment, and concentration techniques for sample preparation, which are recently applied in determination of aromatic amines in environment, are introduced, such as: solid-phase micro-extraction ( SPME) , in-tube solid-phase micro-extraction (INSPME), stirring-bar sorption extraction ( SBSE), liquid-phase micro-extraction (LPME) and ionic liquid dispersion liquid-liquid micro-extraction (IL-DLLME).

  9. The preparation of a new type of ferrocene-based compounds with large conjugated system containing symmetrical aromatic vinyl with Schiff base moieties and the study of their third-order nonlinear optical properties

    Science.gov (United States)

    Yu, Weiguo; Jia, Jianhong; Gao, Jianrong; Han, Liang; Li, Yujin

    2016-09-01

    Herein we reported the preparation of a new type of ferrocene-based compounds with large conjugated system containing symmetrical aromatic vinyl and Schiff base moieties and the study of their third-order nonlinear optical (NLO) properties. Their third-order NLO properties were measured using femtosecond laser and degenerate four-wave mixing (DFWM) technique. The obtained χ(3), n2 and γ values of these molecules were found in the range of 0.998-1.429 × 10-12 esu,1.847-2.646 × 10-11 esu and 1.026-1.449 × 10-30 esu, respectively. The response time ranged from 43.65 fs to 61.71 fs. The results indicate that these compounds have potential nonlinear optical applications.

  10. Preparation and characterization of magnetic Wells-Dawson heteropoly acid nanoparticles for magnetic solid-phase extraction of aromatic amines in water samples.

    Science.gov (United States)

    Amiri, Amirhassan; Saadati-Moshtaghin, Hamid Reza; Zonoz, Farokhzad Mohammadi; Targhoo, Azadeh

    2017-02-03

    In this work, aminopropyl modified silica-coated magnetite nanoparticles with Wells-Dawson heteropoly acid (P2W17Fe@APSCMNPs) was first synthesized and underwent highly efficient magnetic solid-phase extraction (MSPE) of aromatic amines from aqueous samples. The resulted nanomaterials were characterized with different physicochemical techniques such as Fourier transform infrared (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and vibrating sample magnetometry (VSM). Aniline, N,N-dimethylaniline, o-toluidine and 3-chloroaniline were selected as target compounds. The sample quantification was carried out using gas chromatography-flame ionization detector (GC-FID). Under optimal working conditions, the developed method showed good linearity (R>0.9912) in the range of 0.01-100ngmL(-1). The method displays detection limits (at an S/N ration of 3) in the range from 0.003 to 0.01ngmL(-1), and the limits of quantification (at an S/N ratio of 10) are between 0.01 and 0.04ngmL(-1). The enrichment factors (EFs) were in the range of 75-113. Relative standard deviations (RSDs) are 4.8-8.3%. The applicability of the developed method was examined by analyzing different water samples (river water, tap water, well water and wastewater) and the relative recovery values for the spiked water samples were found to be in the range of 90.7-99.8%.

  11. Preparation of an aminopropyl imidazole-modified silica gel as a sorbent for solid-phase extraction of carboxylic acid compounds and polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Wang, Na; Guo, Yong; Wang, Licheng; Liang, Xiaojing; Liu, Shujuan; Jiang, Shengxiang

    2014-05-21

    In this paper, a kind of aminopropyl imidazole-modified silica sorbent was synthesized and used as a solid-phase extraction (SPE) sorbent for the determination of carboxylic acid compounds and polycyclic aromatic hydrocarbons (PAHs). The resultant aminopropyl imidazole-modified silica sorbent was characterized by Fourier transform infrared spectroscopy (FT-IR) and elemental analysis (EA) to ensure the successful binding of aminopropyl imidazole on the surface of silica gel. Then the aminopropyl imidazole-modified silica sorbent served as a SPE sorbent for the enrichment of carboxylic acid compounds and PAHs. The new sorbent exhibited high extraction efficiency towards the tested compounds and the results show that such a sorbent can offer multiple intermolecular interactions: electrostatic, π-π, and hydrophobic interactions. Several parameters affecting the extraction recovery, such as the pH of sample solution, the pH of eluent, the solubility of eluent, the volume of eluent, and sample loading, were also investigated. Under the optimized conditions, the proposed method was applied to the analysis of four carboxylic acid compounds and four PAHs in environmental water samples. Good linearities were obtained for all the tested compounds with R(2) larger than 0.9903. The limits of detection were found to be in the range of 0.0065-0.5 μg L(-1). The recovery values of spiked river water samples were from 63.2% to 112.3% with relative standard deviations (RSDs) less than 10.1% (n = 4).

  12. 油脂中多环芳烃检测前处理方法研究进展%Development of Sample Preparation of Polycyclic Aromatic Hydrocarbons in Edible Fats and Oils

    Institute of Scientific and Technical Information of China (English)

    赵建勇; 范莉梅; 任水英

    2016-01-01

    The sample preparation of analytical methods for polycyclic aromatic hydrocarbon ( PAH) determination in oils and fats was reviewed. Traditional sample preparation relied on tedious, time-consuming procedures. They generally consisted of an extraction step ( liquid-liquid partition, caffeine complexation, saponification) followed by one or more purification procedures (column chromatography, thin-layer chromatography, solid-phase extraction). Therefore, the new introduced gel permeation chromatography ( GPC ) system and supercritical fluid extraction ( SFE ) were developed rapidly. The two methods allow performing both extraction and clean-up in one combined step and have a promising application.%综述了动植物油脂中多环芳烃分析中常用的前处理方法,传统的样品前处理方法包括提取(液液萃取、咖啡因络合提取、皂化提取)、净化(柱色谱净化、薄层色谱净化、固相萃取净化),步骤繁琐,费时费力,消耗溶剂多,因此新引入的凝胶色谱净化( GPC)系统及超临界萃取得到了快速的发展,两者均将提取、净化二合一,具有良好的应用前景。

  13. Structural isomers of polyfluorinated di- and tri-alkylated phosphate ester surfactants present in industrial blends and in microwave popcorn bags.

    Science.gov (United States)

    Trier, Xenia; Nielsen, Nikoline Juul; Christensen, Jan H

    2011-09-01

    In this study, we provide strategies for detecting and quantifying the structural isomers of polyfluorinated di- and tri-alkyl surfactants (PFAS) by mass spectrometry (MS). We specifically investigate polyfluorinated dialkylated phosphate ester surfactants (x:2/y:2 diPAPS, (F(CF(2))( x )CH(2)CH(2)O-P(O)(O)(-)-OCH(2)CH(2)(CF(2))( y )F)) and their thioether analogues (x:2/y:2 S-diPAPS, F(CF(2))( x )CH(2)CH(2)SCH(2)-C[CH(2)O)(2)P(O)(O)(-)]-CH(2)SCH(2)CH(2)(CF(2))( y )F), which are used for industrial applications, such as oil- and water-repellent coatings on paper and board. DiPAPS have been found in human blood and are metabolised to the persistent perfluoroalkyl carboxylic acids (PFCA) in rats. A microwave popcorn bag extract was analysed by ultrahigh-pressure liquid chromatography coupled to a negative electrospray ionisation-quadrupole time-of-flight MS. The extract contained S-diPAPS, diPAPS and trialkylated (triPAPS) impurities. TriPAPS were also present in industrial and synthetic diPAPS standards, and were verified with an 8:2/8:2/8:2 triPAPS standard. The eight elemental compositions (m/z's) of diPAPS in the extract represent 19 precursor ion structures, and the six S-diPAPS m/z's represent at least 13 structures. The diPAPS had [M-H](-) precursor ions of m/z 789, 889,…1,489 and the S-diPAPS of m/z 921, 1,021,…1,421, corresponding to fluorinated chains from C(6-18). Each m/z appeared as one to three chromatographic peaks of structural isomers, where, e.g. m/z 1,189 was present as 10:2/10:2, 8:2/12:2 and 6:2/14:2 diPAPS. The isomers formed different products ions, thus only half of the m/z 1,189 diPAPS concentration was measured with one precursor ion > product ion transition. In general, knowledge about structural isomers of poly-alkylated PFAS is needed for the estimation of types and amounts of perfluorinated degradation products, such as PFCA from diPAPS.

  14. Conditions for sample preparation and quantitative HPLC/MS-MS analysis of bulky adducts to serum albumin with diolepoxides of polycyclic aromatic hydrocarbons as models.

    Science.gov (United States)

    Westberg, Emelie; Hedebrant, Ulla; Haglund, Johanna; Alsberg, Tomas; Eriksson, Johan; Seidel, Albrecht; Törnqvist, Margareta

    2014-02-01

    Stable adducts to serum albumin (SA) from electrophilic and genotoxic compounds/metabolites can be used as biomarkers for quantification of the corresponding in vivo dose. In the present study, conditions for specific analysis of stable adducts to SA formed from carcinogenic polycyclic aromatic hydrocarbons (PAH) were evaluated in order to achieve a sensitive and reproducible quantitative method. Bulky adducts from diolepoxides (DE) of PAH, primarily DE of benzo[a]pyrene (BPDE) and also DE of dibenzo[a,l]pyrene (DBPDE) and dibenzo[a,h]anthracene (DBADE), were used as model compounds. The alkylated peptides obtained after enzymatic hydrolysis of human SA modified with the different PAHDE were principally PAHDE-His-Pro, PAHDE-His-Pro-Tyr and PAHDE-Lys. Alkaline hydrolysis under optimised conditions gave the BPDE-His as the single analyte of alkylated His, but also indicated degradation of this adduct. It was not possible to obtain the BPDE-His as one analyte from BPDE-alkylated SA through modifications of the enzymatic hydrolysis. The BPDE-His adduct was shown to be stable during the weak acidic conditions used in the isolation of SA. Enrichment by HPLC or SPE, but not butanol extraction, gave good recovery, using Protein LoBind tubes. A simple internal standard (IS) approach using SA modified with other PAHDE as IS was shown to be applicable. A robust analytical procedure based on digestion with pronase, enrichment by HPLC or SPE, and analysis with HPLC/MS-MS electrospray ionisation was achieved. A good reproducibility (coefficient of variation (CV) 11 %) was obtained, and the achieved limit of detection for the studied PAHDE, using standard instrumentation, was approximately 1 fmol adduct/mg SA analysing extract from 5 mg SA.

  15. Preparation of polydopamine coated Fe₃O₄ nanoparticles and their application for enrichment of polycyclic aromatic hydrocarbons from environmental water samples.

    Science.gov (United States)

    Wang, Yixuan; Wang, Saihua; Niu, Hongyun; Ma, Yurong; Zeng, Tao; Cai, Yaqi; Meng, Zhaofu

    2013-03-29

    Core/shell structured magnetic Fe3O4/polydopamine (Fe3O4/PDA) nanoparticles have been successfully synthesized and developed as a magnetic solid-phase extraction (SPE) adsorbent in dispersion mode for the determination of trace polycyclic aromatic hydrocarbons (PAHs) in environmental samples. The Fe3O4/PDA synthetic procedure is simple and involves no organic solvents. Only 20mg of Fe3O4/PDA adsorbents are required to extract PAHs from 500mL water samples. The adsorption attains equilibrium rapidly and analysts are eluted with acetonitrile readily. The extraction efficiency is not influenced by salt concentrations up to 300mM and pH values over the range 4-11. Under optimized conditions, the detection limits of PAHs are in the range of 0.5-1.9ngL(-1). The accuracy of the method is evaluated by the recoveries of PAHs from environmental samples. Good recoveries (76.4-107%) with low relative standard deviations from 1.0% to 9.7% are achieved. Comparison study shows that the recoveries of target PAHs are low when they are extracted using traditional SPE method even with the addition of methanol or tetrabutylammonium bromide surfactants in water samples, suggesting great application potential of magnetic SPE method to preconcentrate highly hydrophobic contaminants (such as PAHs) from large volume of water samples. This new SPE method provides several advantages, such as simplicity, low environmental impact, high extraction efficiency, high breakthrough volumes, convenient extraction procedure, and short analysis time. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Methodology of preparing and evaluation of water, containing aromatic hydrocarbons, presents in a petroleum composition, for treatment in adsorption columns, containing polymeric resins; Metodologia de preparo e avaliacao de aguas contendo hidrocarbonetos aromaticos presentes na composicao do petroleo para o tratamento em colunas de adsorcao contendo resinas polimericas

    Energy Technology Data Exchange (ETDEWEB)

    Queiros, Yure G.C.; Lucas, Elizabete F. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Macromoleculas]. E-mail: yuregomes@hotmail.com; elucas@ima.ufrj.br; Barbosa, Celina C.R. [Instituto de Engenharia Nuclear (IEN), Rio de Janeiro, RJ (Brazil)]. E-mail: celina@ima.ufrj.br; Furtado, Claudio Furtado; Barbosa, Luis C.F. [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas e Desenvolvimento Leopoldo Americo Miguez de Mello]. E-mail: lcesar@cenpes.petrobras.com.br

    2003-07-01

    This work deals with the analysis of aromatic components present in small amounts in oily waters produced by oil wells. The methodology for preparing this kind of water with simulation of reservoir conditions, as well as its storage, has been studied. Fluorimetry was the technique of choice for the component's analysis, with good results in terms of analytical speed and efficiency. The passage of toluene-containing solutions through adsorption columns based on polymeric packing shows satisfactory preliminary results as regards the retention of this aromatic hydrocarbon, where the compound detection level after the treatment attained values near to zero concentration. (author)

  17. Spectrometric study of α-methylene aromatic araminenone and aminoketone

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Thirteen α-methylene aromatic araminenone and four α-methylene aromatic aminoketones were prepared by modified Mannich reaction. On the basis of isotopic labeling, a plausible way of cleavage was proposed for the formation of the M+- 17 fragment peak in the MS of the α-methylene aromatic araminenone and aminoketones. The characteristic chemical shift of the olefinic protons in 1H NMR is also discussed.

  18. Nucleophilic fluorination of aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  19. Activity relationships for aromatic crown ethers

    CERN Document Server

    Wilson, M J

    1998-01-01

    This thesis involves an investigation of aromatic crown ethers and a study of their binding constants for alkali metals. The study was motivated by the current needs of the semiconductor industry to improve the scavenging of mobile ions from fabricated circuits. A number of aromatic crown ethers have been sulphonated in an attempt to improve their water solubility and cation binding activity. These materials have been extensively studied and their binding activity determined. In collaboration with a molecular modelling study, the effect of ionisable sulphonate groups on the macrocycles' behaviour has been investigated. The broader issue of the effect of substituents in aromatic crown ethers has also been studied with the preparation of a wide range of substituted crown ethers. The cation binding activity of these materials has been found to bear a simple relationship to the electron withdrawing nature of the aromatic substituents. This relationship can be accurately monitored using electronic charge densities...

  20. Latitudinal gradient of airborne polyfluorinated alkyl substances in the marine atmosphere between Germany and South Africa (53 degrees N-33 degrees S).

    Science.gov (United States)

    Jahnke, Annika; Berger, Urs; Ebinghaus, Ralf; Temme, Christian

    2007-05-01

    Neutral, volatile polyfluorinated alkyl substances (PFAS) were determined in high-volume air samples collected onboard the German research vessel Polarstern during cruise ANTXXIII-1 between Bremerhaven, Germany (53 degrees N) and Capetown, Republic of South Africa (33 degrees S) in fall 2005. An optimized and validated analytical protocol was used for the determination of several fluorotelomer alcohols (FTOHs) as well as N-alkylated fluorooctane sulfonamides and sulfonamidoethanols (FOSAs/FOSEs). Quantitative analyses were done by gas chromatography-mass spectrometry. This study provides the first concentration data of airborne PFAS from the Southern Hemisphere. Results indicate a strongly decreasing concentration gradient from the European continent toward less industrialized regions. The study confirms that airborne PFAS are mainly restricted to the Northern Hemisphere with a maximum concentration of 190 pg/m3 (8:2 FTOH) in the first sample collected in the channel between the European mainland and the UK. However, south of the equator, trace amounts of several FTOHs and FOSAs with a maximum of 14 pg/m3 (8:2 FTOH) could still be detected. Furthermore, a selection of ionic PFAS including perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA) were determined in the particulate phase of high-volume air samples by liquid chromatography-mass spectrometry. Levels of ionic PFAS were almost 2 orders of magnitude lower than those of neutral PFAS, with maximum concentrations in the first sample of 2.5 pg/m3 (PFOS) and 2.0 pg/m3 (PFOA).

  1. Cyclization by intramolecular carbolithiation of alkyl- and vinyllithiums prepared by the action of aromatic radical anions on phenyl thioethers. High stereoselectivity in the cyclization accelerated by an allylic lithium oxyanion.

    Science.gov (United States)

    Deng, Kai; Bensari-Bouguerra, Ahlem; Whetstone, Joseph; Cohen, Theodore

    2006-03-17

    The reductive lithiation of alkyl and vinyl phenyl thioethers by aromatic radical anions is shown to be the most general method yet known for preparing organolithiums capable of intramolecular carbometalation of unactivated alkenes to produce five-membered rings and in one case a four-membered ring (in a far higher yield than known cases). The relative rates of cyclization for alkyllithiums are secondary > tertiary > primary, and the yields are very high. In the secondary case, the stereoselectivity is extremely high, producing a cyclopentylmethyllithium with a trans-2-alkyl substituent. A remarkable finding is that for all of the organolithiums a lithium oxyanionic group in the proximal allylic position to the alkene greatly accelerates the cyclization and leads almost exclusively to a trans relationship between the CH(2)Li group and the OLi group, the opposite relationship from that observed in intramolecular carbolithiations by allyllithiums. A mechanistic rationale for this divergence is discussed. One of the two types of proximal homoallylic lithium oxyanions exerts an analogous effect. An intriguing limitation, even occurring with the highly reactive secondary organolithium and in the presence of an allylic oxyanionic group, is the failure of intramolecular carbolithiation when a methyl group is at the terminus of the alkene.

  2. Preparation, characterization, and applications of a novel solid-phase microextraction fiber by sol-gel technology on the surface of stainless steel wire for determination of poly cyclic aromatic hydrocarbons in aquatic environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Es-haghi, Ali, E-mail: a.eshaghi@rvsri.ac.ir [Department of Physico Chemistry, Razi Vaccine and Serum Research Institute, PO Box 31975/148, Karaj (Iran, Islamic Republic of); Hosseininasab, Valiallah; Bagheri, Habib [Environmental and Bio-Analytical Laboratories, Department of Chemistry, Sharif University of Technology, PO Box 11365-9516, Tehran (Iran, Islamic Republic of)

    2014-02-01

    Highlights: • A novel solid-phase microextraction (SPME) fiber was prepared using sol–gel technology. • Sol–gel coating was performed on stainless steel substrate. • The new fibers are robust and unbreakable with temperature stability. • The fibers were used for extraction of PAHs from aqueous samples. Abstract: A novel solid-phase microextraction(SPME) fiber was prepared using sol–gel technology with ethoxylated nonylphenol as a fiber coating material. The fiber was employed to develop a headspace SPME–GC–MS method suitable for quantification of 13 polycyclic aromatic hydrocarbons (PAHs) in water samples. Surface characteristics of the fibers were inspected by energy dispersive X-ray (EDX) spectroscopy as well as by scanning electron microscopy (SEM). The SEM measurements showed the presence of highly porous nano-sized particles in the coating. Important parameters affecting the extraction efficiency such as extraction temperature and time, desorption conditions as well as ionic strength have been evaluated and optimized. In the next step, the validation of the new method have been performed, finding it to be specific in the trace analysis of PAHs, with the limit of detection (LOD) ranging from 0.01 to 0.5 μg L⁻¹ and the linear range from the respective LOD to 200 μg L⁻¹with RSD amounting to less than 8%. The thermal stability of the fibers was investigated as well and they were found to be durable at 280 °C for 345 min. Furthermore, the proposed method was successfully applied for quantification of PAHs in real water samples.

  3. Hybrid organic/inorganic reverse osmosis (RO) membrane for bactericidal anti-fouling. 1. Preparation and characterization of TiO2 nanoparticle self-assembled aromatic polyamide thin-film-composite (TFC) membrane.

    Science.gov (United States)

    Kwak, S Y; Kim, S H; Kim, S S

    2001-06-01

    Hybrid organic/inorganic reverse osmosis (RO) membranes composed of aromatic polyamide thin films underneath titanium dioxide (TiO2) nanosized particles have been fabricated by a self-assembly process, aiming at breakthrough of biofouling problems. First, positively charged particles of the colloidal TiO2 were synthesized by a sol-gel process, and the diameter of the resulting particles in acidic aqueous solution was estimated to be approximately 2 nm by analyzing the UV-visible absorption characteristics with a quantum mechanical model developed by Brus. Transmission electron microscopy (TEM) further confirmed the formation of the quantum-sized TiO2 particles (approximately 10 nm or less). The TiO2 particles appeared to exist in the crystallographic form of anatase as observed with the X-ray diffraction (XRD) pattern in comparison with those of commercial 100% rutile and commercial 70:30% anatase-to-rutile mixture. The hybrid thin-film-composite (TFC) aromatic polyamide membranes were prepared by self-assembly of the TiO2 nanoparticles on the polymer chains with COOH groups along the surface. They showed improved RO performance in which the water flux even increased, though slightly. Field-emission scanning electron microscopy (FESEM) exhibited the TiO2 nanoparticles well adsorbed onto the surface. X-ray photoelectron spectroscopy (XPS) demonstrated quantitatively that a considerable amount of the adsorbed particles were tightly self-assembled at the expense of the initial loss of those that were loosely bound, and became stabilized even after exposure to the various washing and harsh RO operating conditions. The antibacterial fouling potential of the TiO2 hybrid membrane was examined and verified by measuring the viable numbers and determining the survival ratios of the Escherichia coli (E. coli) as a model bacterium, both with and without UV light illumination. The photocatalytic bactericidal efficiency was remarkably higher for the TiO2 hybrid membrane under UV

  4. Aromater i drikkevand

    DEFF Research Database (Denmark)

    Nyeland, B. A.; Hansen, A. B.

    DMU har den 10. Juni 1997 afholdt en præstationsprøvning: Aromater i drikkevand. Der deltog 21 laboratorier i præstationsprøvningen. Prøvningen omfattede 6 vandige prøver og 6 ampuller indeholdende 6 aromater. Laboratorierne spikede de tilsendte vandprøver med indholdet fra ampullerne...

  5. Allylation of Aromatic Aldehyde under Microwave Irradiation

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Yu-Mei; JIA,Xue-Feng; WANG,Jin-Xian

    2004-01-01

    @@ Allylation of carbonyl compounds is one of the most interesting processes for the preparation of homoallylic alcohols. Over the past few decades, many reagents have been developed for such reactions[1~3]. In this paper, we first report allylic zinc reagent 1, which can be prepared from zinc dust and allyl bromide conveniently in THF, and reacted with aromatic aldehyde to give homo-allylic alcohols under microwave irradiation.

  6. (Hetero)aromatics from dienynes, enediynes and enyne-allenes.

    Science.gov (United States)

    Raviola, Carlotta; Protti, Stefano; Ravelli, Davide; Fagnoni, Maurizio

    2016-08-01

    The construction of aromatic rings has become a key objective for organic chemists. While several strategies have been developed for the functionalization of pre-formed aromatic rings, the direct construction of an aromatic core starting from polyunsaturated systems is yet a less explored field. The potential of such reactions in the formation of aromatics increased at a regular pace in the last few years. Nowadays, there are reliable and well-established procedures to prepare polyenic derivatives, such as dienynes, enediynes, enyne-allenes and hetero-analogues. This has stimulated their use in the development of innovative cycloaromatizations. Different examples have recently emerged, suggesting large potential of this strategy in the preparation of (hetero)aromatics. Accordingly, this review highlights the recent advancements in this field and describes the different conditions exploited to trigger the process, including thermal and photochemical activation, as well as the use of transition metal catalysis and the addition of electrophiles/nucleophiles or radical species.

  7. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2016-09-13

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Group VIII metal and a crystalline alumina support.

  8. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2016-08-02

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

  9. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2017-07-04

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

  10. Catalytic defluorination of perfluorinated aromatics under oxidative conditions using N-bridged diiron phthalocyanine.

    Science.gov (United States)

    Colomban, Cédric; Kudrik, Evgenij V; Afanasiev, Pavel; Sorokin, Alexander B

    2014-08-13

    Carbon-fluorine bonds are the strongest single bonds in organic chemistry, making activation and cleavage usually associated with organometallic and reductive approaches particularly difficult. We describe here an efficient defluorination of poly- and perfluorinated aromatics under oxidative conditions catalyzed by the μ-nitrido diiron phthalocyanine complex [(Pc)Fe(III)(μ-N)Fe(IV)(Pc)] under mild conditions (hydrogen peroxide as the oxidant, near-ambient temperatures). The reaction proceeds via the formation of a high-valent diiron phthalocyanine radical cation complex with fluoride axial ligands, [(Pc)(F)Fe(IV)(μ-N)Fe(IV)(F)(Pc(+•))], which was isolated and characterized by UV-vis, EPR, (19)F NMR, Fe K-edge EXAFS, XANES, and Kβ X-ray emission spectroscopy, ESI-MS, and electrochemical techniques. A wide range of per- and polyfluorinated aromatics (21 examples), including C6F6, C6F5CF3, C6F5CN, and C6F5NO2, were defluorinated with high conversions and high turnover numbers. [(Pc)Fe(III)(μ-N)Fe(IV)(Pc)] immobilized on a carbon support showed increased catalytic activity in heterogeneous defluorination in water, providing up to 4825 C-F cleavages per catalyst molecule. The μ-nitrido diiron structure is essential for the oxidative defluorination. Intramolecular competitive reactions using C6F3Cl3 and C6F3H3 probes indicated preferential transformation of C-F bonds with respect to C-Cl and C-H bonds. On the basis of the available data, mechanistic issues of this unusual reactivity are discussed and a tentative mechanism of defluorination under oxidative conditions is proposed.

  11. SHORT COMMUNICATION POLYCYCLIC AROMATIC ...

    African Journals Online (AJOL)

    a

    *Corresponding author. E-mail: omotayosharafdeen@yahoo.com ... The levels of isolated polycyclic aromatic hydrocarbons (PAH) in ash residues of .... PAH standards, PAH recoveries and percentage recoveries are given in Table 2. In all the ...

  12. Trimerization of aromatic nitriles

    Science.gov (United States)

    Hsu, L. C. (Inventor)

    1977-01-01

    Triazine compounds and cross-linked polymer compositions were made by heating aromatic nitriles to a temperature in the range of about 100 C to about 700 C, in the presence of a catalyst or mixture of catalysts. Aromatic nitrile-modified (terminated and/or appended) imide, benzimidazole, imidazopyrrolone, quinoxaline, and other condensation type prepolymers or their precopolymers were made which were trimerized with or without a filler by the aforementioned catalytic trimerization process.

  13. Synthesis of aromatic cytokinins for plant biotechnology.

    Science.gov (United States)

    Plíhalová, Lucie; Vylíčilová, Hana; Doležal, Karel; Zahajská, Lenka; Zatloukal, Marek; Strnad, Miroslav

    2016-09-25

    Cytokinins represent an important group of plant growth regulators that can modulate several biotechnological processes owing to their ability to influence almost all stages of plant development and growth. In addition, the use of purine based cytokinins with aromatic substituent in C6 position of the purine moiety in tissue culture techniques is currently experiencing a surge in interest, made possible by the ongoing systematic synthesis and study of these compounds. This review article outlines progress in the synthesis of aromatic cytokinins, the in vitro and in vivo effects of these substances and insights gleaned from their synthesis. As the purine moiety in these compounds can be substituted at several positions, we examine each of the substitution possibilities in relation to the derivatives prepared so far. The discussion highlights the gradual simplification of their preparation in relation to their application in practice and summarizes the relevant organic chemistry literature and published patents. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Synthesis and Characterization of Aliphatic-Aromatic Hyperbranched Polyesters

    Institute of Scientific and Technical Information of China (English)

    唐黎明; 张晓龙; 邱藤; 刘德山

    2002-01-01

    Hyperbranched polymers possess special architectures and have potential applications in various areas. In this study, two AB2 monomers, dipropyl 5-(hydroxyethoxy) isophthalate (I) and 5-hydroxyethoxyisophthaic acid (II), were prepared. By bulk polycondensation of each monomer, two aliphatic-aromatic hyperbranched polyesters were prepared and characterized by 1H-nuclear magnetic resonance (1H-NMR), differential scanning calorimetry (DSC), thermogravimetry analysis (TGA), and scanning electron microscopy (SEM). Compared with all-aromatic hyperbranched polyesters, the prepared polymers showed lower glass transition temperatures in connection with the moderate decrease in their decomposition temperatures.

  15. THE GAS TRANSPORT BEHAVIOR IN AROMATIC POLYESTER MEMBRANES

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jian; SUN Qiushi; HOU Xiaohuai

    1996-01-01

    Six aromatic polyesters were prepared for gas separation membranes, and their permeation properties for hydrogen, oxygen, nitrogen, carbon dioxide, and methane were measured at 30℃ and 1 atmosphere by low pressure manometric method. The correlation between the gas transport behavior and molecular structure of aromatic polyester membrane is discussed. These data are interpreted qualitatively in terms of the calculated packing density, gas-polymer interaction, concentration of aryl bromine on backbone, and effect of silane group on main chain of polymer.

  16. Regioselective Electrophilic Aromatic Bromination: Theoretical Analysis and Experimental Verification

    Directory of Open Access Journals (Sweden)

    Hui-Jing Li

    2014-03-01

    Full Text Available Electrophilic aromatic bromination is the most common synthetic method used to prepare aryl bromides, which are very useful intermediates in organic synthesis. To understand the experimental results in electrophilic aromatic brominations, ab initio calculations are used here for a tentative analysis of the positional selectivity. The calculated results agree well with the corresponding experimental data, and the reliability of the resulting positional selectivity was verified by the corresponding experimental data.

  17. Reduction of Sulphur-containing Aromatic Nitro Compounds with Hydrazine Hydrate over Iron(Ⅲ) Oxide-MgO Catalyst

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Sulphur-containing aromatic amines were prepared efficiently in good to excellent yields by reduction of the corresponding sulphur-containing aromatic nitro compounds with hydrazine hydrate in the presence of iron(Ⅲ) oxide-MgO catalyst. The catalyst exhibited high activity and stability for the reduction of sulphur-containing aromatic nitro compounds. The yields of sulphur-containing aromatic amines were up to 91-99 % at 355 K after reduction for 1-4 h over this catalyst.

  18. Facile and efficient aromatization of 1,4-dihydropyridines with M(NO3)2.XH2O, TNCB, TBAP and HMTAI and preparation of deuterium labeled dehydronifedipine from nifedipine-d3.

    Science.gov (United States)

    Shaikh, Ajam C; Chen, Chinpiao

    2010-06-15

    The easy and efficient aromatization of various 1,4-dihydropyridines was investigated using various metal nitrates, trinitratocerium(IV) bromate (TNCB), and tetrabutyl ammonium periodate (TBAP) as oxidant in acetic acid at 100 degrees C, as well as hexamethylenetetramine-iodine (HMTAI) reflux in methanol. The efficient conversion of nifedipine-d(3) to dehydronifedipine-d(3) as an internal standard can be used in the measurement of nifedipine concentration in a body.

  19. Polyimides derived from non-aromatic monomers

    Energy Technology Data Exchange (ETDEWEB)

    Volksen, W.; Sanchez, M.I.; Cha, Hyuk-Jin; Yoon, D.Y. [IBM Almaden Research Center, San Jose, CA (United States)

    1995-12-01

    In recent years the shift in emphasis on high performance polymers, such as polyimides for microelectronic applications, has led to the search for other potential applications utilizing the unique properties of this class of polymers. In this context, polyimides incorporating non-aromatic units in the polymer backbone have been shown to exhibit excellent optical properties as well as significantly lower refractive indices. This lowering in the refractive index, of course, is also reflected in a lower dielectric constant of the material. For this reason, we have initiated a study of new polyimides, in which the traditional aromatic character is diluted with cycloaliphatic structures. One such example is the polyimide derived from hexafluoroisopropylidene diphthalic anhydride (6FDA) and 1,4-diaminocyclohexane (DACH). Preliminary data with respect to the preparation and solution behavior of the polyimide precursor as well as the characterization of relevant physical properties of the final polyimide will be presented.

  20. Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.

    Science.gov (United States)

    Messersmith, Reid E; Siegler, Maxime A; Tovar, John D

    2016-07-01

    This report describes the synthesis and characterization of a series of borepin-based polycyclic aromatics bearing two different arene fusions. The borepin synthesis features streamlined Ti-mediated alkyne reduction, leading to Z-olefins, followed by direct lithiation and borepin formation. These molecules allow for an assessment of aromatic competition between the fused rings and the central borepin core. Crystallographic, magnetic, and computational studies yielded insights about the aromaticity of novel, differentially fused [b,f]borepins and allowed for comparison to literature compounds. Multiple borepin motifs were also incorporated into polycyclic aromatics with five or six rings in the main backbone, and their properties were also evaluated.

  1. Contorted polycyclic aromatics.

    Science.gov (United States)

    Ball, Melissa; Zhong, Yu; Wu, Ying; Schenck, Christine; Ng, Fay; Steigerwald, Michael; Xiao, Shengxiong; Nuckolls, Colin

    2015-02-17

    CONSPECTUS: This Account describes a body of research in the design, synthesis, and assembly of molecular materials made from strained polycyclic aromatic molecules. The strain in the molecular subunits severely distorts the aromatic molecules away from planarity. We coined the term "contorted aromatics" to describe this class of molecules. Using these molecules, we demonstrate that the curved pi-surfaces are useful as subunits to make self-assembled electronic materials. We have created and continue to study two broad classes of these "contorted aromatics": discs and ribbons. The figure that accompanies this conspectus displays the three-dimensional surfaces of a selection of these "contorted aromatics". The disc-shaped contorted molecules have well-defined conformations that create concave pi-surfaces. When these disc-shaped molecules are substituted with hydrocarbon side chains, they self-assemble into columnar superstructures. Depending on the hydrocarbon substitution, they form either liquid crystalline films or macroscopic cables. In both cases, the columnar structures are photoconductive and form p-type, hole- transporting materials in field effect transistor devices. This columnar motif is robust, allowing us to form monolayers of these columns attached to the surface of dielectrics such as silicon oxide. We use ultrathin point contacts made from individual single-walled carbon nanotubes that are separated by a few nanometers to probe the electronic properties of short stacks of a few contorted discs. We find that these materials have high mobility and can sense electron-deficient aromatic molecules. The concave surfaces of these disc-shaped contorted molecules form ideal receptors for the molecular recognition and assembly with spherical molecules such as fullerenes. These interfaces resemble ball-and-socket joints, where the fullerene nests itself in the concave surface of the contorted disc. The tightness of the binding between the two partners can be

  2. Petrochemistry - Aromatics; Petrochimie - Aromatiques

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    2005-09-01

    The assignment of Unipetrol chemical activities to the Czech group Agrofert by the Polish PKN Orlen is suspended and would be renegotiated. Oman Oil Company (OOC) is joining in the Korean LG International and in its subsidiary company Oman Refinery Company (ORC) for the construction of its new aromatics complex on its site of Sohar (Oman). This plan represents an investment of one milliard of dollars; it will produce 800000 t/year of para-xylene and 210000 t/year of benzene. The unit would be operational at the third trimester 2008. (O.M.)

  3. Effect of Rare Earths on n-Hexane Aromatization over HZSM-5 Catalyst

    Institute of Scientific and Technical Information of China (English)

    刘文明; 李凤仪; 朱光中

    2002-01-01

    The cracking and aromatization of n-hexane over H-ZSM-5 modified by various rare earths were investigated by means of continuous flow micro-reactor. The surface properties of modified H-ZSM-5 catalysts were obtained from IR, XRD and XPS. The results show that the rare earths enhance the aromatizing properties of the catalysts which are prepared by mechanical mixture method. The results of n-hexane cracking and aromatization are correlated with the acidity. The Brnsted acidic sites are the active sites of n-hexane aromatization, while Lewis acid site plays an important role in n-hexane cracking.

  4. Tuning of the excitation wavelength in Eu(3+)-aminophenyl based polyfluorinated β-diketonate complexes: a red-emitting Eu(3+)-complex encapsulated in a silica/polymer hybrid material excited by blue light.

    Science.gov (United States)

    Usha Gangan, T V; Reddy, M L P

    2015-09-28

    We describe herein the synthesis, characterization and photophysical properties of a series of europium complexes based on three aminophenyl based polyfluorinated β-diketonates, namely, 1-(4-aminophenyl)-4,4,5,5,5-pentafluoro-3-hydroxypent-2-en-1-one, 1-(4-(dimethylamino)phenyl)-4,4,5,5,5-pentafluoro-3-hydroxypent-2-en-1-one and 1-(4-(diphenylamino)phenyl)-4,4,5,5,5-pentafluoro-3-hydroxypent-2-en-1-one, and an ancillary ligand, 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene oxide. The results demonstrated that the triphenylamine based polyfluorinated Eu(3+)-β-diketonate complexes dramatically red-shifted the excitation maximum to the visible region (λex, max = 400 nm) with an impressive quantum yield (40%) as compared to the simple Eu(3+)-aminophenyl-β-diketonate complexes (λex, max = 370 nm). This can be explained on the basis of the conjugation between nitrogen lone pair electrons and the phenyl π-electrons in the β-diketonate ligand system. On the other hand, the electron-donating dimethylamino group (Hammett constant: σp = -0.83) containing Eu(3+)-β-diketonate complexes moderately shifted the excitation maximum in the UV region from 370 to 380 nm as compared to unsubstituted aminophenyl (Hammett constant: σp = -0.66) Eu(3+) complexes. The displacement of water molecules in aminophenyl based Eu(3+)-β-diketonate binary complexes by a rigid phosphine oxide ligand richly enhances the photoluminescence quantum yields as well as the excited state lifetime values of the corresponding ternary complexes. As an integral part of this work, hybrid materials have been developed through a sol-gel route by encapsulating a ternary Eu(3+) compound in a silica/polymer hybrid for high performance luminescence applications. In addition, a bright red-emitting diode was fabricated by coating the designed hybrid material onto a 400 nm emitting InGaN chip and the photoluminescence was examined. Notably, the current study clearly shows that the developed triphenylamine

  5. "Carbo-aromaticity" and novel carbo-aromatic compounds.

    Science.gov (United States)

    Cocq, Kévin; Lepetit, Christine; Maraval, Valérie; Chauvin, Remi

    2015-09-21

    While the concept of aromaticity is being more and more precisely delineated, the category of "aromatic compounds" is being more and more expanded. This is illustrated by an introductory highlight of the various types of "aromaticity" previously invoked, and by a focus on the recently proposed "aromatic character" of the "two-membered rings" of the acetylene and butatriene molecules. This serves as a general foundation for the definition of "carbo-aromaticity", the relevance of which is surveyed through recent results in the synthetic, physical, and theoretical chemistry of carbo-mers and in particular macrocyclic-polycyclic representatives constituting a natural family of "novel aromatic compounds". With respect to their parent molecules, carbo-mers are constitutionally defined as "carbon-enriched", and can also be functionally regarded as "π-electron-enriched". This is exemplified by recent experimental and theoretical results on functional, aromatic, rigid, σ,π-macrocyclic carbo-benzene archetypes of various substitution patterns, with emphasis on the quadrupolar pattern. For the purpose of comparison, several types of non-aromatic references of carbo-benzenes are then considered, i.e. freely rotating σ,π-acyclic carbo-n-butadienes and flexible σ-cyclic, π-acyclic carbo-cyclohexadienes, and to "pro-aromatic" congeners, i.e. rigid σ,π-macrocyclic carbo-quinoids. It is shown that functional carbo-mers are entering the field of "molecular materials" for properties such as linear or nonlinear optical properties (e.g. dichromism and two-photon absorption) and single molecule conductivity. Since total or partial carbo-mers of aromatic carbon-allotropes of infinite size such as graphene (graphynes and graphdiynes) and graphite ("graphitynes") have long been addressed at the theoretical or conceptual level, recent predictive advances on the electrical, optical and mechanical properties of such carbo-materials are surveyed. Very preliminary experimental results

  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. Advances towards aromatic oligoamide foldamers

    DEFF Research Database (Denmark)

    Hjelmgaard, Thomas; Plesner, Malene; Dissing, Mette Marie

    2014-01-01

    -ray crystallographic analysis of two of these dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure...... of the surrounding aromatic backbone. Investigation of the X-ray structures of two arylopeptoid dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation...

  8. Bioassay of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  9. Relative ototoxicity of 21 aromatic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Gagnaire, Francois; Langlais, Cristina [Institut National de Recherche et de Securite, Departement Polluants et Sante, Vandoeuvre (France)

    2005-06-01

    Some aromatic solvents (e.g. toluene, p-xylene, styrene, and ethylbenzene) show, in the rat, striking ototoxicity characterized by an irreversible hearing loss, as measured by behavioural or electrophysiological methods, associated with damage to outer hair cells in the cochlea of the exposed animals. To broaden the range of aromatic solvents studied concerning their potential ototoxicity and to compare their ototoxicity quantitatively, 21 aromatic solvents were administered orally by gastric intubation to Sprague-Dawley rats for 5 days/week for a 2-week period. The dose used was 8.47 mmol kg{sup -1} body weight day{sup -1}. The possible ototoxicity of the aromatic solvents was evaluated by morphological investigation of the cochlea. Whole-mount surface preparations of the organ of Corti were made to quantify the number of missing hair cells (cytocochleogram). Among the 21 solvents studied, eight (toluene, p-xylene, ethylbenzene, n-propylbenzene, styrene, {alpha}-methylstyrene, trans-{beta}-methylstyrene, and allylbenzene) caused histological lesions of the organ of Corti. They differed widely in their potency. The least ototoxic solvents caused outer hair cell (OHC) loss in the middle turn of the organ of Corti. The OHC loss was slight in the first row, and greater in the second and third rows. The most ototoxic solvents caused high losses in the three rows of the outer hair cells along the entire length of the basilar membrane. There were also occasional inner hair cell (ICH) losses in the most affected animals. Although no measurements were made of the chemical concentrations reached in the blood or the brain, tentative ranking of an increasing ototoxicity of the eight aromatic solvents could be proposed on the basis of the histological losses observed - {alpha}-methylstyrene

  10. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  11. Dechlorination of Aromatic Chlorides in Aqueous System Catalyzed by Functionalized MontK10 Supported Palladium-tin

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A novel bisupporter bimetal catalyst PVP-PdCl2-SnCl4/MontK10-PEG400, using for dehalogenation of insoluable aromatic halides in aqueous system, has shown high dechlorination activity and selectivity, without any organic solvent or phase transfer catalyst. The conversion of aromatic chlorides can reach 100%. The catalyst is easy to prepare and has good reusability.

  12. Atmospheric distribution and seasonality of airborne polyfluorinated compounds. Spatial and temporal concentration variations from ship- and land-based measurements in Northern Germany, the Atlantic Ocean, and Polar Regions

    Energy Technology Data Exchange (ETDEWEB)

    Dreyer, Annekatrin

    2010-07-01

    In order to assess the distribution of per- and polyfluorinated compounds (PFC) in ambient air on temporal as well as spatial scales, air samples were taken during several sampling campaigns in 2007 and 2008. Permanent air monitoring stations close to Hamburg (Germany) as well as several research vessels operating in the Atlantic Ocean, the Southern Ocean, and the Baltic Sea were used as sampling platforms. Airborne PFC were sampled using glass fibre filters (particlebound PFC) and a sandwich polyurethane foam and the polymer resin XAD-2 (gaseous PFC). Samples were extracted by acetone: methyl-tert-butyl ether (1:1) or methanol and detected by GC-MS or HPLC-MS/MS. Airborne PFC were detected in all of the collected air samples, even in Antarctica, with southern hemispheric concentrations being lower than those of the northern hemisphere which provides further evidence that this emerging group of contaminants is subject to atmospheric long-range transport from mainly northern hemispheric source regions towards remote areas. While the persistent perfluorinated acids (PFCA, PFSA) were only determined at concentrations below 1 pg m{sup -3} in the particulate phase, their neutral volatile precursors (fluorotelomer alcohols (FTOH), fluorotelomer acrylates (FTA), perfluoroalkyl sulfonamides (FASA), and perfluoroalkyl sulfonamido ethanols (FASE)) occurred predominantly in the gas phase at concentrations that were usually two orders of magnitude higher and ranged from 4.5 pg m{sup -3} in the Southern Ocean to 335 pg m{sup -3} in source regions in ship-based samples and from 17 to 972 pg m{sup -3} in land-based samples. Furthermore, PFC in ambient air varied strongly over time as observed during a 14 months lasting sampling campaign close to Hamburg. Emissions from nearby local sources as well as long-range transport of PFC emitted from diffuse sources west and southwest of the sampling sites were considered as explanation for the observed pattern. (orig.)

  13. Bacterial degradation of monocyclic aromatic amines

    Directory of Open Access Journals (Sweden)

    Pankaj Kumar Arora

    2015-08-01

    Full Text Available Aromatic amines are an important group of industrial chemicals, which are widely used for manufacturing of dyes, pesticides, drugs, pigments, and other industrial products. These compounds have been considered highly toxic to human beings due to their carcinogenic nature. Three groups of aromatic amines have been recognized: monocyclic, polycyclic and heterocyclic aromatic amines. Bacterial degradation of several monocyclic aromatic compounds has been studied in a variety of bacteria, which utilizes monocyclic aromatic amines as their sole source of carbon and energy. Several degradation pathways have been proposed and the related enzymes and genes have also been characterized. Many reviews have been reviewed toxicity of monocyclic aromatic amines; however, there is lack of review on biodegradation of monocyclic aromatic amines. The aim of this review is to summarize bacterial degradation of monocyclic aromatic amines. This review will increase our current understanding of biochemical and molecular basis of bacterial degradation of monocyclic aromatic amines.

  14. Zn改性纳米ZSM-5分子筛的制备及其催化己烯-1芳构化反应性能%Preparation of Zn-modified nano-ZSM-5 zeolite and its catalytic performance in aromatization of 1-hexene

    Institute of Scientific and Technical Information of China (English)

    王高亮; 吴伟; 昝望; 白雪峰; 王文静; 戚鑫; O.V.KIKHTYANIN

    2015-01-01

    研究以浸渍法和同晶置换法引入Zn对纳米ZSM-5分子筛催化己烯-1芳构化反应性能的促进作用.采用无模板剂的晶种引导法合成具有纳米尺度的ZSM-5分子筛.分别以传统浸渍法和同晶置换法制备Zn改性的纳米ZSM-5分子筛催化剂xZn/HNZ5和yZn/Al-HNZ5.采用XRD、XRF、N2物理吸附、SEM、NH3-TPD和Py-IR等分析手段对所制备样品的结构、化学组成以及酸性进行表征,并在480 °C和质量空速为2.0 h-1的条件下对其催化己烯-1芳构化性能进行考察.与xZn/HNZ5相比,yZn/Al-HNZ5表现出更小的粒径尺寸和更高的Zn物种分散度,使其具有更大的晶间介孔和更均匀的酸中心分布.催化性能评价结果表明,Zn 同晶置换改性的纳米 ZSM-5 分子筛具有更好的Br-nsted和 Lewis酸中心协同作用,能够显著地提高纳米ZSM-5分子筛的催化己烯-1芳构化反应收率和稳定性.%The promoting effect of introducing Zn into nano-ZSM-5 zeolites by conventional impregnation method and isomorphous substitution on the performance of 1-hexene aromatization was investigated. The nano-ZSM-5 zeolite was synthesized by a seed-induced method without organic templates. The Zn-modified nano-ZSM-5 zeolite catalysts,xZn/HNZ5 andyZn/Al-HNZ5, were prepared by the conventional impregnation method and isomorphous substitution, respectively. The structure, chemical composition and acidity of the catalysts were characterized by XRD, XRF, N2 adsorption, SEM, NH3-TPD and Py-IR, while the catalytic properties were evaluated at 480 °C and a weight hourly space velocity (WHSV) of 2.0 h-1 in the aromatization procedure of 1-hexene. Compared withxZn/HNZ5,yZn/Al-HNZ5 exhibited smaller particles and higher dispersion of Zn species, which led to greater intergranular mesopore and homogeneous acidity distribution. Experimental results indicated that the synergy effect between the Br-nsted and Lewis acid sites of the isomorphously substituted nano-ZSM-5 zeolites could

  15. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, Appavu; Deepa, Mohan [Molecular Biophysics Unit, Indian Institute of Sciences-Bangalore, Karnataka (India); Govindaraju, Munisamy [Bio-Spatial Technology Research Unit, Department of Environmental Biotechnology, School of Environmental Sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu (India)

    2016-02-26

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

  16. Effect of maceration enzymes addition on the aromatic white winemaking

    Directory of Open Access Journals (Sweden)

    NICOLAE LAURENŢIU ITU

    2011-07-01

    Full Text Available White grapes of Muscat Ottonel variety were treated enzymatically with maceration enzyme preparation and then fermented with selected yeast. These treatments resulted in an increase of the extraction of the compounds involved in wine aroma and of the must yield. Also an improvement of filterability and a decreasing of the sedimentation and clarification time were noticed. The enzymatic treatment presented a benefic effect on the dynamics of the alcoholic fermentation and the final wine composition. By using maceration enzymes, the wine aromatic intensity is emphasized, because the enzymatic preparation contains high concentrations of both glycosidase acting on the first stage of the enzymatic mechanism and the β-glucosidase acting on the second phase of enzyme mechanism able to release the aromatic constituents. These results are also closely related to the sensory analysis, which indicated that the glycosidase enzymatic treatment seemed to be effective for the improvement of the aroma of Muscat Ottonel wines.

  17. Polyenamines from aromatic diacetylenic diketones and diamines

    Science.gov (United States)

    Hergenrother, Paul M. (Inventor); Bass, Robert G. (Inventor); Sinsky, Mark S. (Inventor); Connell, John W. (Inventor)

    1987-01-01

    The synthesis and characterization of several polyenamine ketones are discussed wherein conjugated diacetylenic diketones and aromatic diamines are used as a route to the formation of high molecular weight polyenamine ketones which exhibit good mechanical properties and can be cast into creasible films. Typical polymerization conditions involved the reaction of stoichiometric amounts of 1,4- or 1,3-PPPO and a diamine at 60 to 130 C in m-cresol at (w/w) solids content of 8 to 26% for a specified period of time under a nitrogen atmosphere. Novel polyenamine ketones were prepared with inherent viscosities as high as 1.99 dl/g and tough, clear amber films with tensile strengths of 12,400 psi and tensile moduli of 397,000 psi were cast from solutions of the polymers in chloroform. In most cases, the elemental analyses for the polyenamine ketones agree within + or - 0.3% of the theoretical values.

  18. Light Naphtha Aromatization(LNA) Process for Aromatics Production

    National Research Council Canada - National Science Library

    KATO, Koichi; FUKASE, Satoshi

    1994-01-01

    .... The coke deposit on the catalyst was found to be increased at higher pressure. The long-cycle-time stability of zinc-aluminosilicates resulted in the design of a new process of light naphtha aromatization using a conventional fixed bed unit...

  19. Propane Aromatization over Mo/HZSM—5 Catalysts

    Institute of Scientific and Technical Information of China (English)

    JunweiWang; MaoqingKang; 等

    2002-01-01

    Impregnation,mechanical mixing and hydrothermal treatment methods were used to introduce molybdenum species into the HZSM-5 zeolite ,the structure and surface acidity of the catalysts were studied by means of XRD,FT-IR ,NH3-TPD,TPR and XPS,The effects of Mo content and reaction time on stream on the aromatization of propane were investigated,It was found that the performance of the Mo/HZSM-5 catalst prepared by the hydrothermal treatment method was much better than that of the other two catalysts,For example ,under the reaction conditions of 823 K and 600h-1, propance conversion and aromatics selectivity over the catalyst prepared by hydrothermal pretreatment could reach 89.17% and 78.56%,respectively,XRD and XPS results showed that the Mo species in the catalysts prepared by hydrothermal treatment were highly dispersed on the surface of the HZSM-5,and lartger amounts of them could penetrate into the HZSM-5 channel ,as compared with the other two kinds of catalysts,These factors may be responsibled for their high activities for propane aromatization,IR and NH3-TPD studies indicated that the number of Broensted acid centers decreased and the Lewis acid centers increased after Mo was introduced into the HZSM-5 zeolite.

  20. Aromaticity of group 14 organometallics: experimental aspects.

    Science.gov (United States)

    Lee, Vladimir Ya; Sekiguchi, Akira

    2007-01-01

    The long story of aromatic compounds has extended over almost two centuries, since the discovery by Faraday of "bicarburet of hydrogen", or C(6)H(6), now called benzene. Since then, the chemistry of aromatic compounds has been developed extensively; this is reflected in the synthesis of novel classes of aromatic derivatives including charged species, nonclassical (Möbius, three-dimensional, homo-, metalla-) aromatics, and fullerenes. The theory of aromaticity has also undergone a spectacular evolution since the first definition of aromaticity by Hückel; the classification of aromaticity now requires the consideration of versatile criteria: energetic, structural, magnetic, among others. In this Review, we discuss the current state of affairs in the chemistry of aromatic compounds of the heavier Group 14 elements, the latest experimental achievements, as well as future prospects in the field.

  1. Ion-exchange membranes based on aromatic polymers for fuel cells; Preparation et caracterisation de membranes echangeuses d'ions basees sur des polymeres aromatiques pour pile a combustible

    Energy Technology Data Exchange (ETDEWEB)

    Kosmala, B.

    2001-09-01

    Poly(2,6- dimethyl-1,4- phenylene oxide) was sulfonated to different degrees. New ion-exchange membranes were prepared either from sulfonated poly(2,6- dimethyl-1,4-phenylene oxide) (SPPO) alone or by mixing solutions of SPPO in the ammonium form and of poly-benzimidazole or poly(2-ethyl-aniline), casting the solution as a thin film, evaporating the solvent and treating the membrane with aqueous hydrochloric acid. The polymer-blend membranes were insoluble in organic solvents as they were crosslinked by interactions of sulfonic acid groups and basic groups of the other polymer. A very small amount of either polymer in the blend will bring about crosslinking of the membrane. The membranes were tested in a H{sub 2}/O{sub 2} fuel cells. Their performance in the fuel cell increased with increasing concentration of SPPO sulfonic acid groups in the blend, but the membranes formed with the highly sulfonated SPPO alone or predominating, which swelled excessively in water, did not give reproducible results and their performance was usually inferior to that of the membranes having an optimum ratio of both components. (author)

  2. 芳基硼酸聚合作用下高分子防火材料制备技术%Preparation Technology of Polymer Fire Retardant Materials Under Action of Aromatic Boric Acid Polymerization

    Institute of Scientific and Technical Information of China (English)

    谭瑶

    2016-01-01

    The preparation of polymer materials with high polymer materials under the action of boric acid polymerization was proposed. First memory aryl boric acid polymer molecular characteristics analysis, polymer of fire resistance and flame retardant characteristics analysis, experiment, hafnium chloride (I. g, 4.0 mmol) and APTES (AR) AIDRICH- thiol acrylate (1.32 g, 8.0 mmol) was dissolved in DMF, aryl boric acid polymer nanometer TiO2 powder (30%) with Tween-208- crown 6 content increased with increasing. Under temperature programmed synthesized screw [4,4]-1,6- Ren dimethyl- 3- phenyl propylene, high pressure dense phase processing, in the hyperbaric chamber with 10 DEG C- min-1 speed heated from room temperature to 240 DEG C, join for thermionic coating and improve the fireproof material of thermal stability, chemical stability and mechanical stability in the expansion and contraction of the state, the completion of aryl boric acid polymerization under the action of macromolecule fire-proof material preparation. The experimental results show that the method has good thermal stability, high heat absorption peak and flame retardant layer with high thermal stability, high temperature resistance and fire resistance.%提出采用基硼酸聚合作用下高分子防火材料制备技术.首先根据芳基硼酸聚合物的分子特性分析,进行聚合物的防火性和阻燃性特征分析,实验中,将氯化铪(1.281 g,4.0 mmol)和APTES(AR AIDRICH)3-巯丙(1.32 g,8.0 mmol)溶于DMF中,芳基硼酸聚合物TiO2纳米粉体(30%))随着Tween-208-冠-6含量的增加而增加.在程序控温下,合成了螺[4,4]-1,6-壬二甲基-3-苯基丙烯,进行高压密相处理,在高压舱中以10℃·min-1的速度从室温加热到240℃,加入换热离子涂层,在热胀冷缩状态下提高防火材料的热稳定性、化学稳定性和力学稳定性,完成芳基硼酸聚合作用下高分子防火材料制备.实验结果表明,采用该方法制

  3. 离子液体掺杂聚苯胺固相微萃取涂层的电沉积制备及其在芳香胺检测中的应用%Electrochemical Preparation of Polyaniline-Ionic Liquid Based Solid Phase Microextraction Coating and Its Application in Determination of Aromatic Amines

    Institute of Scientific and Technical Information of China (English)

    王妹丽; 王娟; 赵发琼; 曾百肇

    2011-01-01

    新型萃取材料及相关涂层制备技术是固相微萃取技术发展的重点.本研究在1-羟丙基-3-甲基咪唑-四氟硼酸盐([C3(OH)mim][BF4])和HNO3混合溶液中,通过电化学方法在铂(Pt)丝表面固定新型聚苯胺-离子液体(PANI-IL)涂层.电镜分析表明,离子液体存在时,PANI膜孔结构变均匀、比表面积增大.以芳香胺为模拟物,考察萃取头的顶空固相微萃取(HS SPME)性能.在优化条件下,5种芳香胺的检出限为0.04~0.12μg/L(SIN=3);线性范围为0.15~1000 μg/L.同一萃取头萃取5次的相对标准偏差(RSD)小于4.6%;不同萃取头的RSD则在2.4%~9.5%(n=3)之间.与自制聚苯胺(PANI/Pt)及商品化的聚丙烯酸酯(PA)萃取头相比,PANI-IL/Pt萃取头具有更高的萃取率.此外,PANI-IL涂层对苯类化合物亦有较高的萃取能力.萃取头使用120余次后,萃取性能无明显变化,表明萃取头的稳定性好、使用寿命长.%A novel solid phase microextraction coating of polyaniline-ionic liquid (PANI-IL) was prepared by electrodeposition on a Pt wire in aqueous solutions containing ionic liquid [C3 (OH) mim][BF4] and nitric acid. The resulted coating was more uniform and porous than PANI coating. Taking five aromatic amines as models, the performance of the PANI-IL/Pt fiber was explored. Under the optimized conditions, when they were determined by GC after headspace SPME with the PANI-IL/Pt, the detection limits were 0. 04 - 0. 12 μg/L (S/N = 3) and the linear ranges were 0. 15 -1000 μg/L. These aromatic amines were determined for five times using a PANI-IL/Pt fiber coupled with GC and the RSD of chromatographic peak areas were smaller than 4.6% ; the fiber to fiber RSD was 2. 4-9. 5% for different aromatic amines. In comparison with PANI/Pt and commercial PA, the PANI-IL/Pt fiber showed higher extraction efficiency and repeatability. It also exhibited high extraction capability to benzene compounds. The PANI-IL/Pt fiber was used for more than 120

  4. Study on biodegradable aromatic/aliphatic copolyesters

    Energy Technology Data Exchange (ETDEWEB)

    Yiwang Chen; Licheng Tan; Lie Chen; Yan, Yang; Xiaofeng Wang [Nanchang University, Nanchang (China). School of Materials Science and Engineering. Inst. of Polymer Materials]. E-mail: ywchen@ncu.edu.cn

    2008-04-15

    Progress on biodegradable aromatic/aliphatic copolyesters based on aliphatic and aromatic diacids, diols and ester monomers was reviewed. The aromatic/aliphatic copolyesters combined excellent mechanical properties with biodegradability. Physical properties and biodegradability of copolyesters varied with chain length of the aliphatic polyester segment and atacticity of copolyesters. The process ability of copolyesters could be improved significantly after incorporating a stiff chain segment through copolymerization of aliphatic polyesters with an aromatic liquid crystal element. The aromatic/aliphatic copolyesters as a new type of biodegradable materials could replace some general plastics in certain applications, namely biomedical and environmental friendly fields. (author)

  5. Study on biodegradable aromatic/aliphatic copolyesters

    Directory of Open Access Journals (Sweden)

    Yiwang Chen

    2008-06-01

    Full Text Available Progress on biodegradable aromatic/aliphatic copolyesters based on aliphatic and aromatic diacids, diols and ester monomers was reviewed. The aromatic/aliphatic copolyesters combined excellent mechanical properties with biodegradability. Physical properties and biodegradability of copolyesters varied with chain length of the aliphatic polyester segment and atacticity of copolyesters. The processability of copolyesters could be improved significantly after incorporating a stiff chain segment through copolymerization of aliphatic polyesters with an aromatic liquid crystal element. The aromatic/aliphatic copolyesters as a new type of biodegradable materials could replace some general plastics in certain applications, namely biomedical and environmental friendly fields.

  6. Propane Aromatization over Mo/HZSM-5 Catalysts

    Institute of Scientific and Technical Information of China (English)

    Junwei Wang; Maoqing Kang; Zhixin Zhang; Xinkui Wang

    2002-01-01

    Impregnation, mechanical mixing and hydrothermal treatment methods were used to introducemolybdenum species into the HZSM-5 zeolite. The structure and surface acidity of the catalysts werestudied by means of XRD, FT-IR, NH3-TPD, TPR and XPS. The effects of Mo content and reaction timeon stream on the aromatization of propane were investigated. It was found that the performance of theMo/HZSM-5 catalyst prepared by the hydrothermal treatment method was much better than that of theother two catalysts. For example, under the reaction conditions of 823 K and 600 h-1, propane conversionand aromatics selectivity over the catalyst prepared by hydrothermal pretreatment could reach 89.17%and 78.56%, respectively. XRD and XPS results showed that the Mo species in the catalysts preparedby hydrothermal treatment were highly dispersed on the surface of the HZSM-5, and larger amounts ofthem could penetrate into the HZSM-5 channel, as compared with the other two kinds of catalysts. Thesefactors may be responsible for their high activities for propane aromatization. IR and NH3-TPD studiesindicated that the number of Bronsted acid centers decreased and the Lewis acid centers increased afterMo was introduced into the HZSM-5 zeolite.

  7. 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.

  8. Magnetic graphene oxide as adsorbent for the determination of polycyclic aromatic hydrocarbon metabolites in human urine.

    Science.gov (United States)

    Zhu, Linli; Xu, Hui

    2014-09-01

    Detection of monohydroxy polycyclic aromatic hydrocarbons metabolites in urine is an advisable and valid method to assess human environmental exposure to polycyclic aromatic hydrocarbons. In this work, novel Fe3O4/graphene oxide composites were prepared and their application in the magnetic solid-phase extraction of monohydroxy polycyclic aromatic hydrocarbons in urine was investigated by coupling with liquid chromatography and mass spectrometry. In the hybrid material, superparamagnetic Fe3O4 nanoparticles provide fast separation to simplify the analytical process and graphene oxide provides a large functional surface for the adsorption. The prepared magnetic nanocomposites were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and vibrating sample magnetometry. The experimental conditions were optimized systematically. Under the optimal conditions, the recoveries of these compounds were in the range of 98.3-125.2%, the relative standard deviations ranged between 6.8 and 15.5%, and the limits of detection were in the range of 0.01-0.15 ng/mL. The simple, quick, and affordable method was successfully used in the analysis of human urinary monohydroxy polycyclic aromatic hydrocarbons in two different cities. The results indicated that the monohydroxy polycyclic aromatic hydrocarbons level in human urine can provide useful information for environmental exposure to polycyclic aromatic hydrocarbons.

  9. Deuterated polycyclic aromatic hydrocarbons: Revisited

    CERN Document Server

    Doney, Kirstin D; Mori, Tamami; Onaka, Takashi; Tielens, A G G M

    2016-01-01

    The amount of deuterium locked up in polycyclic aromatic hydrocarbons (PAHs) has to date been an uncertain value. We present a near-infrared (NIR) spectroscopic survey of HII regions in the Milky Way, Large Magellanic Cloud (LMC), and Small Magellanic Cloud (SMC) obtained with AKARI, which aims to search for features indicative of deuterated PAHs (PAD or Dn-PAH) to better constrain the D/H ratio of PAHs. Fifty-three HII regions were observed in the NIR (2.5-5 {\\mu}m), using the Infrared Camera (IRC) on board the AKARI satellite. Through comparison of the observed spectra with a theoretical model of deuterated PAH vibrational modes, the aromatic and (a)symmetric aliphatic C-D stretch modes were identified. We see emission features between 4.4-4.8 {\\mu}m, which could be unambiguously attributed to deuterated PAHs in only six of the observed sources, all of which are located in the Milky Way. In all cases, the aromatic C-D stretching feature is weaker than the aliphatic C-D stretching feature, and, in the case o...

  10. The direct aromatization of methane

    Energy Technology Data Exchange (ETDEWEB)

    Marcelin, G.; Oukaci, R.; Migone, R.A.; Kazi, A.M. [Altamira Instruments, Pittsburgh, PA (United States)

    1995-12-31

    The thermal decomposition of methane shows significant potential as a process for the production of higher unsaturated and aromatic hydrocarbons when the extent of the reaction is limited. Thermodynamic calculations have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that cooling the product and reacting gases as the reaction proceeds can significantly reduce or eliminate the formation of solid carbon and heavier (C{sub 10+}) materials. Much work remains to be done in optimizing the quenching process and this is one of the goals of this program. Means to lower the temperature of the reaction are being studied as this result in a more feasible commercial process due to savings realized in energy and material of construction costs. The use of free-radical generators and catalysts will be investigated as a means of lowering the reaction temperature thus allowing faster quenching. It is highly likely that such studies will lead to a successful direct methane to higher hydrocarbon process.

  11. Argentation chromatography for the separation of polycyclic aromatic compounds according to ring number.

    Science.gov (United States)

    Nocun, Margarete; Andersson, Jan T

    2012-01-01

    Crude oils are the most complex mixtures known and every speciation method relies on a simplification of their complexity. Argentation chromatography is shown to be superior to traditional liquid chromatographic ways of separating aromatic compounds based on the number of aromatic carbon atoms. A silver(I) mercaptopropano silica gel allows an efficient group separation of polycyclic aromatic compounds to be achieved. The usefulness of this phase is demonstrated for SRM 1582 Wilmington crude oil and a diesel fuel. Furthermore, the phase can also be used for semi-preparative purposes to collect fractions for further analysis with high resolution mass spectrometry. Orbitrap mass spectra are obtained here for the polycyclic aromatic sulfur heterocycles and it is demonstrated that they can contain one to five naphtheno rings.

  12. Noncomparative scaling of aromaticity through electron itinerancy

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Satadal [Department of Chemistry, University of North Bengal, Raja Rammohunpur, Darjeeling 734013, West Bengal (India); Darjeeling Polytechnic, Kurseong, Darjeeling 734203, West Bengal (India); Goswami, Tamal; Misra, Anirban, E-mail: anirbanmisra@yahoo.com [Department of Chemistry, University of North Bengal, Raja Rammohunpur, Darjeeling 734013, West Bengal (India)

    2015-10-15

    Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry.

  13. Compactness Aromaticity of Atoms in Molecules

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2010-03-01

    Full Text Available A new aromaticity definition is advanced as the compactness formulation through the ratio between atoms-in-molecule and orbital molecular facets of the same chemical reactivity property around the pre- and post-bonding stabilization limit, respectively. Geometrical reactivity index of polarizability was assumed as providing the benchmark aromaticity scale, since due to its observable character; with this occasion new Hydrogenic polarizability quantum formula that recovers the exact value of 4.5 a03 for Hydrogen is provided, where a0 is the Bohr radius; a polarizability based–aromaticity scale enables the introduction of five referential aromatic rules (Aroma 1 to 5 Rules. With the help of these aromatic rules, the aromaticity scales based on energetic reactivity indices of electronegativity and chemical hardness were computed and analyzed within the major semi-empirical and ab initio quantum chemical methods. Results show that chemical hardness based-aromaticity is in better agreement with polarizability based-aromaticity than the electronegativity-based aromaticity scale, while the most favorable computational environment appears to be the quantum semi-empirical for the first and quantum ab initio for the last of them, respectively.

  14. Catalyst mixture for aromatic hydrocarbon synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Minderhoud, J.K.; Huizinga, T.; Sie, S.T.

    1989-06-06

    The present invention is concerned with catalyst mixtures consisting of two catalysts, characterized in that one, which is based on zinc, is capable of catalysing the conversion of a H/sub 2//CO mixture into oxygen-containing organic compounds, and the other is a crystalline iron/boron silicate which, after one hour's calcination in air at 500/sup 0/C, has the following properties: a certain X-ray powder diffraction pattern and, in the formula that represents the composition of the silicate, expressed in moles of the oxides, a SiO/sub 2//Fe/sub 2/O/sub 3 molar ratio that is 20-2000, a SiO/sub 2//B/sub 2/O/sub 3/ molar ratio 50-5000, and a Fe/sub 2/O/sub 3//B/sub 2/O/sub 3/ molar ratio higher than 1.0. Said catalyst mixtures show higher aromatics selectivity in the preparation of hydrocarbon mixtures from H/sub 2//CO mixtures than such a mixture comprising an iron silicate instead of the above iron/boron silicates. 3 tabs.

  15. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.

    2012-01-06

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  16. Birds and polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Albers, P.H.

    2006-01-01

    Polycyclic aromatic hydrocarbons (PAH) are present throughout the global environment and are produced naturally and by activities of humans. Effects of PAH on birds have been determined by studies employing egg injection, egg immersion, egg shell application, single and multiple oral doses, subcutaneous injection, and chemical analysis of field-collected eggs and tissue. The four-to six-ring aromatic compounds are the most toxic to embryos, young birds, and adult birds. For embryos, effects include death, developmental abnormalities, and a variety of cellular and biochemical responses. For adult and young birds, effects include reduced egg production and hatching, increased clutch or brood abandonment, reduced growth, increased organweights, and a variety of biochemical responses. Trophic level accumulation is unlikely. Environmental exposure to PAH in areas of high human population or habitats affected by recent petroleum spills might be sufficient to adversely affect reproduction. Evidence of long-term effects of elevated concentrations of environmental PAH on bird populations is very limited and the mechanisms of effect are unclear.

  17. Synthesis and Antileishmanial Activity of Lipophilic Aromatic Aminoalcohols

    Directory of Open Access Journals (Sweden)

    Roberta Novaes Reis Corrales

    2010-01-01

    Full Text Available In this work, we report on the preparation and evaluation of the in vitro antileishmanial activity of a series of lipophilic aromatic aminoalcohols. All compounds were assessed for their in vitro activity against promastigotes of three Leishmania species The most lipophilic aminoalcohols bearing an aliphatic moiety with eight to 12 carbon atoms displayed a good activity against L. amazonensis and L. major, and two of them also showed antiproliferative activity against L. chagasi. The best results were obtained for the N-dodecanoyl ethylenediamine derivative and for N-decyl aminoalcohol (IC50 = 5.2 and 0.7 μM, respectively.

  18. Crosslinking of aromatic polyamides via pendant propargyl groups

    Science.gov (United States)

    St.clair, A. K.; St.clair, T. L.; Barrick, J. D.; Campbell, F. J.

    1980-01-01

    Methods for crosslinking N-methyl substituted aromatic polyamides were investigated in an effort to improve the applicability of these polymers as matrix resins for Kavlar trademark fiber composites. High molecular weight polymers were prepared from isophthaloyl dichloride and 4,4'- bis(methylamino)diphenylmethane with varying proportions of the N,N'bispropargyl diamine incorporated as a crosslinking agent. The propargylcontaining diamines were crosslinked thermally and characterized by infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Attempts were also made to crosslink polyamide films by exposure to ultraviolet light, electron beam, and gamma radiation.

  19. Ambient aromatic hydrocarbon measurements at Welgegund, South Africa

    Energy Technology Data Exchange (ETDEWEB)

    Jaars, K.; Beukes, J. P.; van Zyl, P. G.; Venter, A. D.; Josipovic, M.; Pienaar, J. J.; Vakkari, Ville; Aaltonen, H.; Laakso, H.; Kulmala, M.; Tiitta, P.; Guenther, Alex B.; Hellen, H.; Laakso, L.; Hakola, H.

    2014-07-11

    Aromatic hydrocarbons are associated with direct adverse human health effects and can have negative impacts on ecosystems due to their toxicity, as well as indirect negative effects through the formation of tropospheric ozone and secondary organic aerosol that affect human health, crop production and regional climate. Measurements were conducted at the Welgegund measurement station (South Africa) that is considered to be a regionally representative background site. However, the site is occasionally impacted by plumes from major anthropogenic source regions in the interior of South Africa, which include the western Bushveld Igneous Complex (e.g. platinum, base metal and ferrochrome smelters), the eastern Bushveld Igneous Complex (platinum and ferrochrome smelters), the Johannesburg-Pretoria metropolitan conurbation (>10 million people), the Vaal Triangle (e.g. petrochemical and industries), the Mpumalanga Highveld (e.g. coal-fired power plants and petrochemical industry) and also a region of anti-cyclonic recirculation of air mass over the interior of South Africa. The aromatic hydrocarbon measurements were conducted with an automated sampler on Tenax-TA and Carbopack-B adsorbent tubes with heated inlet for one year. Samples were collected twice a week for two hours during daytime and two hours 1 during night-time. A thermal desorption unit, connected to a gas chromatograph and a mass 2 selective detector was used for sample preparation and analysis. Results indicated that the 3 monthly median total aromatic hydrocarbon concentrations ranged between 0.01 to 3.1 ppb. 4 Benzene levels did not exceed local air quality standards. Toluene was the most abundant 5 species, with an annual median concentration of 0.63 ppb. No statistically significant 6 differences in the concentrations measured during daytime and night-time were found and no distinct seasonal patterns were observed. Air mass back trajectory analysis proved that the lack of seasonal cycles could be

  20. Ambient aromatic hydrocarbon measurements at Welgegund, South Africa

    Directory of Open Access Journals (Sweden)

    K. Jaars

    2014-02-01

    Full Text Available Aromatic hydrocarbons are associated with direct adverse human health effects and can have negative impacts on ecosystems due to their toxicity, as well as indirect negative effects through the formation of tropospheric ozone and secondary organic aerosol that affect human health, crop production and regional climate. Measurements were conducted at the Welgegund measurement station (South Africa that is considered to be a regionally representative background site. However, the site is occasionally impacted by plumes from major anthropogenic source regions in the interior of South Africa, which include the western Bushveld Igneous Complex (e.g. platinum, base metal and ferrochrome smelters, the eastern Bushveld Igneous Complex (platinum and ferrochrome smelters, the Johannesburg–Pretoria metropolitan conurbation (>10 million people, the Vaal Triangle (e.g. petrochemical and pyrometallurgical industries, the Mpumalanga Highveld (e.g. coal-fired power plants and petrochemical industry and also a region of anti-cyclonic recirculation of air mass over the interior of South Africa. The aromatic hydrocarbon measurements were conducted with an automated sampler on Tenax-TA and Carbopack-B adsorbent tubes with heated inlet for one year. Samples were collected twice a week for two hours during daytime and two hours during night-time. A thermal desorption unit, connected to a gas chromatograph and a mass selective detector was used for sample preparation and analysis. Results indicated that the monthly median total aromatic hydrocarbon concentrations ranged between 0.01 to 3.1 ppb. Benzene levels did not exceed local air quality standards. Toluene was the most abundant species, with an annual median concentration of 0.63 ppb. No statistically significant differences in the concentrations measured during daytime and night-time were found and no distinct seasonal patterns were observed. Air mass back trajectory analysis proved that the lack of seasonal

  1. Combinatorial Solid-Phase Synthesis of Aromatic Oligoamides: A Research-Based Laboratory Module for Undergraduate Organic Chemistry

    Science.gov (United States)

    Fuller, Amelia A.

    2016-01-01

    A five-week, research-based experiment suitable for second-semester introductory organic laboratory students is described. Each student designs, prepares, and analyzes a combinatorial array of six aromatic oligoamides. Molecules are prepared on solid phase via a six-step synthetic sequence, and purities and identities are determined by analysis of…

  2. Synthesis of aromatic glycoconjugates. Building blocks for the construction of combinatorial glycopeptide libraries

    Directory of Open Access Journals (Sweden)

    Markus Nörrlinger

    2014-10-01

    Full Text Available New aromatic glycoconjugate building blocks based on the trifunctional 3-aminomethyl-5-aminobenzoic acid backbone and sugars linked to the backbone by a malonyl moiety were prepared via peptide coupling. The orthogonally protected glycoconjugates, bearing an acetyl-protected glycoside, were converted into their corresponding acids which are suitable building blocks for combinatorial glycopeptide synthesis.

  3. Comparison of interaction of aromatic solvents in hybrid and textile biocomposites

    CSIR Research Space (South Africa)

    Jacob John, Maya

    2009-11-01

    Full Text Available Natural rubber was reinforced with sisal–oil palm hybrid fibers. Composites were prepared by varying the weight content of the fibers and chemical modification of the biofibers. The interaction of three different types of aromatic solvents, namely...

  4. Novel β-cyclodextrin modified quantum dots as fluorescent probes for polycyclic aromatic hydrocarbons (PAHs)

    Institute of Scientific and Technical Information of China (English)

    Cui Ping Han; Hai Bing Li

    2008-01-01

    Water-soluble CdSe/ZnS quantum dots (QDs)were prepared via a simple sonochemical procedure using β-cyclodextrin (CD)as surface coating agent.The QDs displayed a sensitive emission enhancement for anthracene over other related polycyclic aromatic hydrocarbons,and the detection limit was around 1.6 × 10-8 mol/L.

  5. Microbial formation of hydroxylated aromatic compounds from 4-chloro- and 4-nitrobenzoate.

    NARCIS (Netherlands)

    Groenewegen, P.E.J.

    1993-01-01

    In the introduction of this thesis several aspects of the production of hydroxylated aromatic compounds are described. These compounds are applied in the production of pharmaceuticals, polymers, flavors and dyes, but their chemical synthesis is rather difficult in preparative organic chemistry. Ther

  6. Production of aromatic hydrocarbons via catalytic pyrolysis of biomass over fe-modified HZSM-5 zeolites

    Science.gov (United States)

    Iron modified HZSM-5 catalysts were prepared by partial ion exchange of NH4ZSM-5 with Fe (II) at three different loadings (1.4, 2.8 and 4.2 wt%), and their effectiveness for producing aromatic hydrocarbons from cellulose, cellobiose, lignin and switchgrass by catalytic pyrolysis were screened using ...

  7. Microbial formation of hydroxylated aromatic compounds from 4-chloro- and 4-nitrobenzoate

    NARCIS (Netherlands)

    Groenewegen, P.

    1993-01-01

    In the introduction of this thesis several aspects of the production of hydroxylated aromatic compounds are described. These compounds are applied in the production of pharmaceuticals, polymers, flavors and dyes, but their chemical synthesis is rather difficult in preparative organic

  8. Complexation of two non-fully hydrogen bonded aromatic hydrazide heptamers toward n-octyl-α-L-glucopyranoside in chloroform

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Two aromatic hydrazide haptamers have been prepared,with both consisting of two hydrogen bonded folded segments. Compared to their fully hydrogen bonded analogues,the flexibility of their backbones increases due to lack of one or two intramolecular hydrogen bonds at the middle aromatic unit. (2D) 1H NMR,circular dichroism and fluorescent studies revealed that both oligomers moderately complex n-octyl-α-L-glucopyranoside in chloroform.

  9. Hückel's Rule of Aromaticity Categorizes Aromatic Closo Boron Hydride Clusters

    OpenAIRE

    Poater i Teixidor, Jordi; Solà i Puig, Miquel; Viñas, Clara; Teixidor, Francesc

    2016-01-01

    A direct connection is established between tridimensional aromatic closo boron hydride clusters and planar aromatic [n]annulenes for medium and large size boron clusters. In particular, our results prove the existence of a link between the two-dimensional Hückel rule followed by aromatic [n]-annulenes and Wade-Mingos' rule of three-dimensional aromaticity applied to the aromatic [BnHn]2- closo boron hydride clusters. Our results show that closo boron hydride clusters can be categorized into d...

  10. 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.

  11. Beyond organic chemistry: aromaticity in atomic clusters.

    Science.gov (United States)

    Boldyrev, Alexander I; Wang, Lai-Sheng

    2016-04-28

    We describe joint experimental and theoretical studies carried out collaboratively in the authors' labs for understanding the structures and chemical bonding of novel atomic clusters, which exhibit aromaticity. The concept of aromaticity was first discovered to be useful in understanding the square-planar unit of Al4 in a series of MAl4(-) bimetallic clusters that led to discoveries of aromaticity in many metal cluster systems, including transition metals and similar cluster motifs in solid compounds. The concept of aromaticity has been found to be particularly powerful in understanding the stability and bonding in planar boron clusters, many of which have been shown to be analogous to polycyclic aromatic hydrocarbons in their π bonding. Stimulated by the multiple aromaticity in planar boron clusters, a design principle has been proposed for stable metal-cerntered aromatic molecular wheels of the general formula, M@Bn(k-). A series of such borometallic aromatic wheel complexes have been produced in supersonic cluster beams and characterized experimentally and theoretically, including Ta@B10(-) and Nb@B10(-), which exhibit the highest coordination number in two dimensions.

  12. Polyfluorinated substances in abiotic standard reference materials

    NARCIS (Netherlands)

    Reiner, J.L.; Blaine, A.C.; Higgins, C.P.; Kwadijk, C.J.A.F.

    2015-01-01

    The National Institute of Standards and Technology (NIST) has a wide range of Standard Reference Materials (SRMs) which have values assigned for legacy organic pollutants and toxic elements. Existing SRMs serve as homogenous materials that can be used for method development, method validation, and m

  13. Polycyclic Aromatic Compounds as Anticancer Agents: Synthesis and Biological Evaluation of Methoxy Dibenzofluorene Derivatives

    Directory of Open Access Journals (Sweden)

    Bimal Krishna Banik

    2014-08-01

    Full Text Available Synthesis of a new methoxy dibenzofluorene through alkylation, cyclodehydration and aromatization in a one-pot operation is achieved for the first time. Using this hydrocarbon, a few derivatives are prepared through aromatic nitration, catalytic hydrogenation, coupling reaction with a side chain and reduction. The benzylic position of this hydrocarbon with the side chain is oxidized and reduced. Some of these derivatives have demonstrated excellent antitumor activities in vitro. This study confirms antitumor activity depends on the structures of the molecules.

  14. SYNTHESIS AND CHARACTERIZATION OF AROMATIC LIQUID CRYSTALLINE COPOLYESTERS WITH REGULAR SEQUENCE STRUCTURE

    Institute of Scientific and Technical Information of China (English)

    LIN Qinghuang; WANG Huifen; LIU Deshan; ZHOU Qixiang

    1990-01-01

    Several novel aromatic liquid crystalline copolyesters with regular sequence structure were prepared by melt Schotten-Baumann polycondensation via complex monomer. Polarizing microscope with hot stage,thermal analysis and X-ray diffraction were used to investigate the structure and properties of the copolyesters . The effects of structural units, such as flexible spacer, noncolinear meta-linked phenylene unit, crankshaft unit, kink with flexible bridging unit and various substituted benzene rings on melting temperature of aromatic copolyesters were studied and discussed on the basis of crystalline structure of the polymers.

  15. Abilities of some higher plants to hydrolyze the acetates of phenols and aromatic-aliphatic alcohols

    Directory of Open Access Journals (Sweden)

    Agnieszka Mironowicz

    2014-01-01

    Full Text Available In the biotransformations carried out under the same conditions, the whole intact plants of Spirodela punctata, Nephrolepis exaltata, Cyrtomium falcatum, Nephrolepis cordifolia and the suspension cultures of Helianthus tuberosus, Daucus carota and Petunia hybrida hydrolyze (partially or totally the ester bonds of the acetates of phenols and aromatic-aliphatic alcohols and also the menthyl acetate. Nevertheless, the methyl esters of aromatic acids, structurally similar to the former substrates, do not undergo hydrolysis. At the same time, the viability of first four plants was observed for different levels of acetate concentration. The method of continuous preparative hydrolysis of the same acetates was worked out in Cyrtomium falcatum culture.

  16. Synthesis of Fluoroalkoxy Substituted Arylboronic Esters by Iridium-Catalyzed Aromatic C–H Borylation

    KAUST Repository

    Batool, Farhat

    2015-08-17

    The preparation of fluoroalkoxy arylboronic esters by iridium-catalyzed aromatic C–H borylation is described. The fluoroalkoxy groups employed include trifluoromethoxy, difluoromethoxy, 1,1,2,2-tetrafluoroethoxy, and 2,2-difluoro-1,3-benzodioxole. The borylation reactions were carried out neat without the use of a glovebox or Schlenk line. The regioselectivities available through the iridium-catalyzed C–H borylation are complementary to those obtained by the electrophilic aromatic substitution reactions of fluoroalkoxy arenes. Fluoroalkoxy arylboronic esters can serve as versatile building blocks.

  17. Synthesis of aromatic nitriles using nonmetallic cyano-group sources.

    Science.gov (United States)

    Kim, Jinho; Kim, Hyun Jin; Chang, Sukbok

    2012-11-26

    Aromatic nitriles are prepared efficiently through transition-metal-mediated cyanation of aryl (pseudo)halides with metallic cyano-group sources, such as CuCN, KCN, NaCN, Zn(CN)(2), TMSCN, or K(4) [Fe(CN)(6)]. However, this approach often suffers from drawbacks, such as the formation of stoichiometric amounts of metal waste, the poisoning of the metal catalysts, or the generation of toxic HCN gas. As a result, a range of "nonmetallic" organic cyano-group sources have been explored for the cyanation of aryl halides and arene C-H bonds. This Minireview summarizes types of nonmetallic cyano-group sources and their applications in the preparation of aryl nitriles. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Conservation of medicinal and aromatic plants

    Directory of Open Access Journals (Sweden)

    Šveistytė, Laima

    2016-07-01

    Full Text Available The conservation of medicinal and aromatic plants includes ex situ and in situ methods. The genetic recourses of medicinal and aromatic plants are stored, studied and constantly maintained in the field collections of the Institute of Botany of Nature Research Centre, Kaunas Botanical Garden of Vytautas Magnus University and Aleksandras Stulginskis University of Agriculture. Presently seeds of 214 accessions representing 38 species of medicinal and aromatic plants are stored in a long-term storage in the Plant Gene Bank. The data about national genetic resources are collected and stored in the Central Database of the Plant Gene Bank.

  19. Synthesis of functional aromatic multisulfonyl chlorides and their masked precursors.

    Science.gov (United States)

    Percec, V; Bera, T K; De, B B; Sanai, Y; Smith, J; Holerca, M N; Barboiu, B; Grubbs, R B; Fréchet, J M

    2001-03-23

    The synthesis of functional aromatic bis(sulfonyl chlorides) containing an acetophenone and two sulfonyl chloride groups, i.e., 3,5-bis[4-(chlorosulfonyl)phenyl]-1-acetophenone (16), 3,5-bis(chlorosulfonyl)-1-acetophenone (17), and 3,5-bis(4-(chlorosulfonyl)phenyloxy)-1-acetophenone (18) via a sequence of reactions, involving in the last step the quantitative oxidative chlorination of S-(aryl)- N,N'-diethylthiocarbamate, alkyl- or benzyl thiophenyl groups as masked nonreactive precursors to sulfonyl chlorides is described. A related sequence of reactions was used for the synthesis of the aromatic trisulfonyl chloride 1,1,1-tris(4-chlorosulfonylphenyl)ethane (24). 4-(Chlorosulfonyl)phenoxyacetic acid, 2,2-bis[[[4-(chlorosulfonyl)phenoxyacetyl]oxy]methyl]-1,3-propanediyl ester (27), 5,11,17,23-tetrakis(chlorosulfonyl)-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix[4]arene (38), 5,11,17,23,29,35-hexakis(chlorosulfonyl)-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)calix[6]arene (39), 5,11,17,23,29,35,41,47-octakis(chlorosulfonyl)-49,50,51,52,53,54,55,56-octakis(ethoxycarbonylmethoxy)calix[8]arene (40), 5,11,17,23-tetrakis(tert-butyl)-25,26,27,28-tetrakis(chlorosulfonyl phenoxyacetoxy)calix[4]arene (44), 5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41,42-hexakis(chlorosulfonylphenoxyacetoxy)calix[6]arene (45), and 5,11,17,23,29,35,41,47-octakis(tert-butyl)-49,40,51,52,53,54,55,56-octakis(chlorosulfonylphenoxyacetoxy)calix[8]arene (46) were synthesized by two different multistep reaction procedures, the last step of both methods consisting of the chlorosulfonation of compounds containing suitable activated aromatic positions. 2,4,6-Tris(chlorosulfonyl)aniline (47) was obtained by the chlorosulfonation of aniline. The conformation of two series of multisulfonyl chlorides i.e., 38, 39, 40 and 44, 45, 46, was investigated by (1)H NMR spectroscopy. The masked nonreactive precursor states of the functional aromatic multisulfonyl chlorides and the aromatic

  20. Pulse shape discrimination in non-aromatic plastics

    Energy Technology Data Exchange (ETDEWEB)

    Paul Martinez, H.; Pawelczak, Iwona; Glenn, Andrew M.; Leslie Carman, M.; Zaitseva, Natalia; Payne, Stephen

    2015-01-21

    Recently it has been demonstrated that plastic scintillators have the ability to distinguish neutrons from gamma rays by way of pulse shape discrimination (PSD). This discovery has lead to new materials and new capabilities. Here we report our work with the effects of aromatic, non-aromatic, and mixed aromatic/non-aromatic matrices have on the performance of PSD plastic scintillators.

  1. Adsorption behavior of some aromatic compounds on hydrophobic magnetite for magnetic separation.

    Science.gov (United States)

    Sasaki, Takahiro; Tanaka, Shunitz

    2011-11-30

    In this study, a hydrophobic magnetite coated with an alkyl chain or a phenyl group on the surface was prepared and used as an adsorbent to investigate the adsorption behavior of aromatic compounds having various values of log P(ow) (phenol 1.46, benzonitrile 1.56, nitrobenzene 1.86, benzene 2.13, toluene 2.73, chlorobenzene 2.84 and o-dichlorobenzene 3.38) onto hydrophobic magnetite. The hydrophobic magnetites were modified with stearic acid and phenyltrimethoxysilane, and the modification amounts were 9.84 × 10(-3) and 4.17 × 10(-2)mmol/g, respectively. The aromatic compounds used in this study were divided into 3 groups depending on the log P(ow): 1aromatic compounds. The adsorption mechanism for 2compounds and modified functional groups and the fitting for adsorption isotherm models suggested that this adsorption might form a multi-layer adsorption in the most cases.

  2. Microwave Irradiated Reactions of N-Phenacylpyridinium Chloride with Aromatic Aldehydes and Ketones

    Institute of Scientific and Technical Information of China (English)

    Ping WU; Xi Mei CAI; Rong YAO; Chao Guo YAN

    2006-01-01

    In the system of ammonium acetate and acetic acid and under microwave irradiation,N-phenacylpyridinium chloride 1 reacted with chalcone 2 to give 2,4,6-triarylpyrididnes 3a-g in high yields. 3a-g can also be prepared from one-pot reaction of 1 with aromatic aldehydes 4 and substituted acetophenones 5. Under the same conditions 1 can also react with pyridinecar boxaldehyde 6a-c and acetophenone to yield bipyridine derivatives 7a-c. 1 reacted with aromatic aldehyde and cyclohexanone 6 to yield 2,4-diaryltetrahydroquinolines 8a-d. At last 1 reacted with aromatic aldehydes to give 2,4,6-triarylpyrimidine 9a-i. The structure of the products was characterized with 1H NMR and IR and mass spectroscopy.

  3. Recent advances in the ruthenium-catalyzed hydroarylation of alkynes with aromatics: synthesis of trisubstituted alkenes.

    Science.gov (United States)

    Manikandan, Rajendran; Jeganmohan, Masilamani

    2015-11-14

    The hydroarylation of alkynes with substituted aromatics in the presence of a metal catalyst via chelation-assisted C-H bond activation is a powerful method to synthesize trisubstituted alkenes. Chelation-assisted C-H bond activation can be done by two ways: (a) an oxidative addition pathway and (b) a deprotonation pathway. Generally, a mixture of cis and trans stereoisomeric as well as regioisomeric trisubstituted alkenes was observed in an oxidative addition pathway. In the deprotonation pathway, the hydroarylation reaction can be done in a highly regio- and stereoselective manner, and enables preparation of the expected trisubstituted alkenes in a highly selective manner. Generally, ruthenium, rhodium and cobalt complexes are used as catalysts in the reaction. In this review, a ruthenium-catalyzed hydroarylation of alkynes with substituted aromatics is covered completely. The hydroarylation reaction of alkynes with amide, azole, carbamate, phosphine oxide, amine, acetyl, sulfoxide and sulphur directed aromatics is discussed.

  4. Polynuclear Aromatic Hydrocarbons with Curved Surfaces: Buckyballs

    Energy Technology Data Exchange (ETDEWEB)

    Sygula, Andrzej [Mississippi State Univ., Mississippi State, MS (United States)

    2016-08-15

    The discovery of a new allotropic form of elemental carbon – the fullerenes – and subsequently other novel forms of elemental carbon with pyramidalized surfaces, most notably single-walled and multi-walled carbon nanotubes, introduced a novel structural motif to the polycyclic aromatic hydrocarbons (PAHs) with nonplanar surfaces. Our research program supported by BES DOE grant DE-FG02-04ER15514 has dealt with the synthesis, structural studies, and chemistry of the novel curved-surface PAHs with carbon frameworks structurally related to fullerenes. They are referred to as “buckybowls”. We prepared several new buckybowls and, even more importantly, developed the efficient, gram-scale synthetic methodologies for the preparation of small buckybowls, most notably corannulene (C20H10) and its derivatives. In addition, the employment of the corannulene-based synthons previously developed in our laboratory led to a number of highly nonplanar molecular architectures with two or more corannulene subunits with a potential for the applications as novel materials in separation sciences, nanoelectronics, photovoltaics and catalysis. In collaboration with Professor Angelici (Iowa State) we prepared and characterized several transition metal complexes of corannulene, providing the first structural characterization of η6 metal complexes of buckybowls by a single crystal X-ray diffraction. In addition to the definitive structural characterization of the complexes we demonstrated that the (η6-C6Me6)Ru2+ unit in some relatively stable complexes activate the corannulene ligand to react with proper nucleophiles suggesting that such complexex may be used in catalysis. (Section C). We have explored the efficiency of the dispersion-based interactions of curved-surface conjugated carbon networks by high-level computational models. We showed that the curvature of such networks does not reduce the van der Waals attractions as compared to the planar systems of similar size. We than

  5. Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Bakes, E. L. O.

    2000-01-01

    We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

  6. Graphite Oxide and Aromatic Amines : Size Matters

    NARCIS (Netherlands)

    Spyrou, Konstantinos; Calvaresi, Matteo; Diamanti, Evmorfi A. K.; Tsoufis, Theodoros; Gournis, Dimitrios; Rudolf, Petra; Zerbetto, Francesco

    2015-01-01

    Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline

  7. 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)

  8. Graphite Oxide and Aromatic Amines : Size Matters

    NARCIS (Netherlands)

    Spyrou, Konstantinos; Calvaresi, Matteo; Diamanti, Evmorfi A. K.; Tsoufis, Theodoros; Gournis, Dimitrios; Rudolf, Petra; Zerbetto, Francesco

    2015-01-01

    Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molec

  9. Comments on Coulomb pairing in aromatic hydrocarbons

    CERN Document Server

    Huber, D L

    2013-01-01

    Recently reported anomalies in the double-photonionization spectra of aromatic molecules such as benzene, naphthalene, anthracene and coronene are attributed to Coulomb-pair resonances of pi electrons.

  10. Determination of some polycyclic aromatic hydrocarbons (PAHs ...

    African Journals Online (AJOL)

    cinthia

    2013-08-01

    Aug 1, 2013 ... In this study, polycyclic aromatic hydrocarbons (PAHs) associated with airborne particulate ... compounds from the heavily industrialized Vaal Triangle region. ... benzene ring as cluster, linear or angular (Maliszewska-.

  11. Volatilisation of aromatic hydrocarbons from soil

    DEFF Research Database (Denmark)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons were measured in the laboratory from the surface of soils contaminated with coal tar Four soil samples from a former gasworks site were used for the experiments. The fluxes were quantified for 11 selected compounds, 4 mono- and 7 polycyclic...... aromatic hydrocarbons, for a period of up to 8 or 16 days. The concentrations of the selected compounds in the soils were between 0.2 and 3,100 mu g/g. The study included the experimental determination of the distribution coefficient of the aromatic hydrocarbons between the sorbed phase and the water under...... saturated conditions. The determined distribution coefficients showed that the aromatic hydrocarbons were more strongly sorbed to the total organic carbon including the coal tar pitch - by a factor of 8 to 25 - than expected for natural organic matter. The fluxes were also estimated using an analytical...

  12. Microbial transformation of chlorinated aromatics in sediments

    NARCIS (Netherlands)

    Beurskens, J.E.M.

    1995-01-01

    Numerous contaminants like heavy metals, polycyclic aromatic hydrocarbons (PAHs), chlorinated benzenes (CBs), polychlorinated biphenyls (PCBs), polychlorinated dibenzo- p -dioxins (PCDDs) and polychlorinated furans (PCDFs) are detected in the major rivers in the Netherl

  13. High-pressure liquid chromatographic separation of the naturally occurring toxicants myristicin, related aromatic ethers and falcarinol.

    Science.gov (United States)

    Wulf, L W; Nagel, C W; Branen, A L

    1978-11-21

    The naturally occurring toxicants myristicin, twelve related aromatic ethers and the toxic acetylenic alcohol, falcarinol, were separated from one another by high-pressure liquid chromatography (HPLC). The technique employed a microparticulate nitrile phase column and used heptane and tetrahydrofuran as the eluting solvents. Preparative HPLC with 5-micrometer silica allowed isolation of gram quantities of parsleyapiole and dillapiole from extracts of plain parsley seeds and dill seeds, respectively. Commercially available myristicin as well as other aromatic ethers were also purified in gram quantities with the preparative column.

  14. Aromatic amines sources, environmental impact and remediation

    OpenAIRE

    Pereira,Luciana; Mondal, P. K.; Alves,M. M.

    2015-01-01

    Aromatic amines are widely used industrial chemicals as their major sources in the environment include several chemical industry sectors such as oil refining, synthetic polymers, dyes, adhesives, rubbers, perfume, pharmaceuticals, pesticides and explosives. They result also from diesel exhaust, combustion of wood chips and rubber and tobacco smoke. Some types of aromatic amines are generated during cooking, special grilled meat and fish, as well. The intensive use and production of these comp...

  15. Aromatic amines sources, environmental impact and remediation

    OpenAIRE

    Pereira, Luciana; Mondal, P. K.; Alves, M. M.

    2015-01-01

    Aromatic amines are widely used industrial chemicals as their major sources in the environment include several chemical industry sectors such as oil refining, synthetic polymers, dyes, adhesives, rubbers, perfume, pharmaceuticals, pesticides and explosives. They result also from diesel exhaust, combustion of wood chips and rubber and tobacco smoke. Some types of aromatic amines are generated during cooking, special grilled meat and fish, as well. The intensive use and production of these comp...

  16. Thoughts on Optimization of Aromatic Feedstock

    Institute of Scientific and Technical Information of China (English)

    Cao Jian

    2002-01-01

    This article refers to four cases of process unit combinations with different throughputs of aromatics unit for production of 450 kt/a paraxylene at a certain petrochemical complex in order to against a representative case (provided with an 800-kt/a CCR unit and a 600-kt/a disproportionation unit) and the feasibility and advantage of using prolysis gasoline as aromatic feedstock is studied.

  17. Poly(cyclopropenone)s: formal inclusion of the smallest Hückel aromatic into pi-conjugated polymers.

    Science.gov (United States)

    Peart, Patricia A; Tovar, John D

    2010-08-20

    The synthesis of precursors to pi-conjugated cyclopropenium polymers is described. Monomers for chemical and electrochemical manipulation are easily prepared through electrophilic substitution of in situ generated cyclopropenium cations that are then hydrolyzed to the respective cyclopropenones. The unusually strong dipole moment associated with the cyclopropenone renders this core formally aromatic, an electronic structure that becomes more important within individual monomers upon protonation of the carbonyl function with trifluoroacetic acid or alkylation with triethyloxonium salts. The electronic properties of cyclopropenone polymers in their pristine states and after acidification are discussed along with conjugated carbonyl-containing polymers that are also acid sensitive but without the added element of aromaticity. We find that the increased contributions of cyclopropenium cation aromaticity restrict the quinoidal charge carriers due to the energetically less favorable proposition of disrupting the local aromatic stabilization.

  18. 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.

  19. Aromatic metabolism of filamentous fungi in relation to the presence of aromatic compounds in plant biomass.

    Science.gov (United States)

    Mäkelä, Miia R; Marinović, Mila; Nousiainen, Paula; Liwanag, April J M; Benoit, Isabelle; Sipilä, Jussi; Hatakka, Annele; de Vries, Ronald P; Hildén, Kristiina S

    2015-01-01

    The biological conversion of plant lignocellulose plays an essential role not only in carbon cycling in terrestrial ecosystems but also is an important part of the production of second generation biofuels and biochemicals. The presence of the recalcitrant aromatic polymer lignin is one of the major obstacles in the biofuel/biochemical production process and therefore microbial degradation of lignin is receiving a great deal of attention. Fungi are the main degraders of plant biomass, and in particular the basidiomycete white rot fungi are of major importance in converting plant aromatics due to their ability to degrade lignin. However, the aromatic monomers that are released from lignin and other aromatic compounds of plant biomass are toxic for most fungi already at low levels, and therefore conversion of these compounds to less toxic metabolites is essential for fungi. Although the release of aromatic compounds from plant biomass by fungi has been studied extensively, relatively little attention has been given to the metabolic pathways that convert the resulting aromatic monomers. In this review we provide an overview of the aromatic components of plant biomass, and their release and conversion by fungi. Finally, we will summarize the applications of fungal systems related to plant aromatics. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Interaction between Ni and HZSM-5 in aromatization-enhanced reactive adsorption desulfurization catalysts for FCC gasoline upgrading.

    Science.gov (United States)

    Zhao, Jinchong; Zhang, Lulu; She, Nannan; Liu, Yunqi; Chai, Yongming; Liu, Chenguang

    A compound catalyst (RA) consisted of Ni, ZnO and HZSM-5 with functions of reactive adsorption desulfurization (RADS) and olefin aromatization for fluid catalytic cracking (FCC) gasoline upgrading was prepared. X-ray powder diffraction (XRD), temperature-programmed reduction and low-temperature N2 adsorption were used to characterize the properties of the catalysts. Performance evaluation by FCC gasoline was carried out, and the result showed that the catalyst RA performed well in desulfurization and aromatization. For comparison, RADS catalyst (represented by DS) consisted of Ni and ZnO and aromatization catalyst (represented by Ar) consisted of HZSM-5 were prepared, respectively. They were combined in different ways to help investigating interaction between Ni and HZSM-5. Performance evaluated by FCC gasoline showed that catalyst RA performed best in desulfurization with a slight octane number loss. Interaction between Ni and HZSM-5 is a significant factor which influences the performance of the catalyst.

  1. Thermochemical factors affecting the dehalogenation of aromatics.

    Science.gov (United States)

    Sadowsky, Daniel; McNeill, Kristopher; Cramer, Christopher J

    2013-12-17

    Halogenated aromatics are one of the largest chemical classes of environmental contaminants, and dehalogenation remains one of the most important processes by which these compounds are degraded and detoxified. The thermodynamic constraints of aromatic dehalogenation reactions are thus important for understanding the feasibility of such reactions and the redox conditions necessary for promoting them. Accordingly, the thermochemical properties of the (poly)fluoro-, (poly)chloro-, and (poly)bromobenzenes, including standard enthalpies of formation, bond dissociation enthalpies, free energies of reaction, and the redox potentials of Ar-X/Ar-H couples, were investigated using a validated density functional protocol combined with continuum solvation calculations when appropriate. The results highlight the fact that fluorinated aromatics stand distinct from their chloro- and bromo- counterparts in terms of both their relative thermodynamic stability toward dehalogenation and how different substitution patterns give rise to relevant properties, such as bond strengths and reduction potentials.

  2. Renewable Aromatics from the Degradation of Polystyrene under Mild Conditions

    KAUST Repository

    Jabri, Nouf M

    2017-05-25

    A bimetallic FeCu/alumina catalyst was prepared and characterized. It showed excellent catalytic activity to quantitatively convert polystyrene (PS) into aromatics at low temperatures. A clear goldish yellow liquid was produced at 250 °C in a batch reactor without distillation. A liquid yield of 66% in an inert environment was achieved without the formation of coke and gas by-products. An exposure time of 90 min. and a catalyst loading of 200 mg were considered as an optimum condition to minimize the styrene re-polymerization. The gas chromatography/ mass spectrometry (GC/MS) analysis confirms that the primary products are styrene, ethylbenzene, cumene, toluene and α-methylstyrene.

  3. Catalytic trimerization of aromatic nitriles for synthesis of polyimide matrix resins

    Science.gov (United States)

    Hsu, L.-C.

    1974-01-01

    Aromatic nitriles may be trimerized at moderate temperature and pressure with p-toluenesulfonic acid as catalyst. Studies were conducted to establish the effect of the reaction temperature, pressure, time, and catalyst concentration on yield of the trimerized product. Trimerization studies were also conducted to establish the effect of substituting electron donating or withdrawing groups on benzonitrile. Preliminary results of using the catalytic trimerization approach to prepare s-triazine cross-linked polyimide/graphite fiber composites are presented.

  4. Synthesis of alkenyl boronates from allyl-substituted aromatics using an olefin cross-metathesis protocol.

    Science.gov (United States)

    Hemelaere, Rémy; Carreaux, François; Carboni, Bertrand

    2013-07-01

    An efficient synthesis of 3-aryl-1-propenyl boronates from pinacol vinyl boronic ester and allyl-substituted aromatics by cross metathesis is reported. Although the allylbenzene derivatives are prone to isomerization reaction under metathesis conditions, we found that some ruthenium catalysts are effective for this methodology. This strategy thus provides an interesting alternative approach to alkyne hydroboration, leading to the preparation of unknown compounds. Moreover, the boron substituent can be replaced by various functional groups in good yields.

  5. Use of Ionic Liquid-filled Semipermeable Membrane for Extraction of Polycyclic Aromatic Hydrocarbons in Water

    Institute of Scientific and Technical Information of China (English)

    Wen Yan ZHAO; Meng HAN; Shu Gui DAI; Xia ZHONG

    2005-01-01

    A novel and facile sample preparation method was developed for the extraction of polycyclic aromatic hydrocarbons (PAHs) in aqueous sample solution using 1-butyl-3-methylimidazolium hexafluorophosphate ([C4MIM] [PF6]) - filled semipermeable membrane. For24 hrs extraction of naphthalene, 1-methylnaphthalene, 2-chloronaphthalene, phenanthrene, the result showed that the extraction efficiency, correlation coefficient (R2) and RSD (n=5) were in the range of 67-102 %, 0.9870-0.9962, and 2.1-5.3 %, respectively.

  6. Synthesis of a New Aromatic Dianhydride Containing Pyridine Ring and Related Polyimide

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A new aromatic dianhydride monomer containing pyridine moiety, 2,6-bis[4'-(3",4"dicarboxyphenoxy)benzoyl]-pyridine dianhydride (Md), was synthesized in four steps, starting from 2,6-pyridinedicarboxyl chloride. A novel pyridine-containing polyimide was prepared via polycondensation of Md with ODA by two-step method. The resulting polyimide exhibits excellent solubility, film-forming capability and high thermal resistance.

  7. Asymmetric Intramolecular Alkylation of Chiral Aromatic Imines via Catalytic C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Watzke, Anja; Wilson, Rebecca; O' Malley, Steven; Bergman, Robert; Ellman, Jonathan

    2007-04-16

    The asymmetric intramolecular alkylation of chiral aromatic aldimines, in which differentially substituted alkenes are tethered meta to the imine, was investigated. High enantioselectivities were obtained for imines prepared from aminoindane derivatives, which function as directing groups for the rhodium-catalyzed C-H bond activation. Initial demonstration of catalytic asymmetric intramolecular alkylation also was achieved by employing a sterically hindered achiral imine substrate and catalytic amounts of a chiral amine.

  8. Dibenzoheptazethrene isomers with different biradical characters: An exercise of clar's aromatic sextet rule in singlet biradicaloids

    KAUST Repository

    Sun, Zhe

    2013-12-04

    Clar\\'s aromatic sextet rule has been widely used for the prediction of the reactivity and stability of polycyclic aromatic hydrocarbons with a closed-shell electronic configuration. Recent advances in open-shell biradicaloids have shown that the number of aromatic sextet rings plays an important role in determination of their ground states. In order to test the validity of this rule in singlet biradicaloids, the two soluble and stable dibenzoheptazethrene isomers DBHZ1 and DBHZ2 were prepared by different synthetic approaches and isolated in crystalline form. These two molecules have different numbers of aromatic sextet rings in their respective biradical resonance forms and thus are expected to exhibit varied singlet biradical character. This assumption was verified by different experimental methods, including nuclear magnetic resonance (NMR), electron spin resonance (ESR), superconducting quantum interference device (SQUID), steady-state and transient absorption spectroscopy (TA), and X-ray crystallographic analysis, assisted by unrestricted symmetry-broken density functional theory (DFT) calculations. DBHZ2, with more aromatic sextet rings in the biradical form, was demonstrated to possess greater biradical character than DBHZ1; as a result, DBHZ2 exhibited an intense one-photon absorption (OPA) in the near-infrared region (λabs max = 804 nm) and a large two-photon absorption (TPA) cross-section (σ(2)max = 2800 GM at 1600 nm). This investigation together with previous studies indicates that Clar\\'s aromatic sextet rule can be further extended to the singlet biradicaloids to predict their ground states and singlet biradical characters. © 2013 American Chemical Society.

  9. Nickel-catalyzed cross-coupling reactions of benzylic zinc reagents with aromatic bromides, chlorides and tosylates.

    Science.gov (United States)

    Schade, Matthias A; Metzger, Albrecht; Hug, Stephan; Knochel, Paul

    2008-07-14

    Benzylic zinc reagents prepared by direct insertion of zinc to benzylic chlorides in the presence of LiCl undergo smooth cross-coupling reactions with aromatic chlorides, bromides and tosylates using Ni(acac)(2) and PPh(3) as a catalyst system.

  10. Erbium trifluoromethanesulfonate-catalyzed Friedel–Crafts acylation using aromatic carboxylic acids as acylating agents under monomode-microwave irradiation

    DEFF Research Database (Denmark)

    Tran, Phuong Hoang; Hansen, Poul Erik; Nguyen, Hai Truong;

    2015-01-01

    Erbium trifluoromethanesulfonate is found to be a good catalyst for the Friedel–Crafts acylation of arenes containing electron-donating substituents using aromatic carboxylic acids as the acylating agents under microwave irradiation. An effective, rapid and waste-free method allows the preparation...

  11. Global aromatics supply. Today and tomorrow

    Energy Technology Data Exchange (ETDEWEB)

    Bender, M. [BASF SE, Ludwigshafen (Germany)

    2013-11-01

    Aromatics are the essential building blocks for some of the largest petrochemical products in today's use. To the vast majority they are consumed to produce intermediates for polymer products and, hence, contribute to our modern lifestyle. Their growth rates are expected to be in line with GDP growth in future. This contrasts the significantly lower growth rates of the primary sources for aromatics - fuel processing and steam cracking of naphtha fractions. A supply gap can be expected to open up in future for which creative solutions will be required. (orig.)

  12. Assessing aromaticity and the degree of aromatic condensation of pyrogenic carbon

    Science.gov (United States)

    Wiedemeier, D. B.; Abiven, S.; Hockaday, W. C.; Keiluweit, M.; Kleber, M.; Masiello, C. A.; McBeath, A. V.; Nico, P. S.; Pyle, L. A.; Schneider, M. P.; Smernik, R. J.; Wiesenberg, G. L.; Schmidt, M. W.

    2013-12-01

    Fire-derived, pyrogenic carbon (PyC) is a persistent organic carbon fraction in soils because it is relatively resistant against chemical and biological degradation. PyC thus represents a carbon sequestration potential in the global carbon cycle and was also reported to be potentially beneficial for soil fertility. PyC is naturally added to soils during wildfires and anthropogenically in the form of biochar, after organic waste is pyrolyzed. Aromaticity and the degree of aromatic condensation are the two main quality properties of PyC that probably determine its persistence against degradation. Consequently, the two properties largely influence the PyC's carbon sequestration potential as well as the duration, during which it can provide benefits to the soil. Aromaticity and the degree of aromatic condensation of PyC should theoretically be dependent on pyrolysis conditions, such as highest heating temperature or pyrolysis time, and also depend on the feedstock. In this study, we used two different pyrolysis procedures and four different feedstocks to produce four thermosequences of 38 chars in total, with highest heating temperatures ranging from 100 - 1000° C. The chars were then analyzed with an extensive suite of seven different methods: solid state 13C nuclear magnetic resonance (13C NMR), diffuse infrared Fourier transform spectroscopy (DRIFT), synchrotron-based near-edge X-ray absorption fine structure analysis (NEXAFS), benzene polycarboxylic acid analysis (BPCA), lipid analysis, elemental analysis and helium pycnometry. These methods allowed to infer the aromaticity and the degree of aromatic condensation of the differently pyrolyzed materials. Using multivariate statistical methods, aromaticity and the degree of aromatic condensation could successfully be linked to highest heating temperature and other pyrolysis conditions because characteristic patterns of the two aromatic properties could be observed by different methods throughout all four

  13. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    Science.gov (United States)

    Smith, R.E.; Dolbeare, F.A.

    1980-10-21

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 4-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes. No Drawings

  14. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    Science.gov (United States)

    Smith, Robert E.; Dolbeare, Frank A.

    1979-01-01

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 5-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes.

  15. Aromatization of alkanes over Pt promoted conventional and mesoporous gallosilicates of MEL zeolite

    KAUST Repository

    Akhtar, M. N.

    2012-01-01

    Aromatization of hexane and propane was investigated over Pt promoted mesoporous gallium-containing HZSM-11 with controlled mesoporosity generated by desilication. Prepared catalysts were characterized by nitrogen adsorption, X-ray powder diffraction, scanning electron microscopy, Fourier transform infrared of chemisorbed pyridine, and NH 3 temperature programmed desorption confirming the development of intracrystalline mesoporosity of Ga-containing HZSM-11. The catalytic activities, which were compared in the aromatization of n-hexane and propane, increased upon desilication. The aromatization of n-hexane decreased in the following order, Pt/mesoporous GaZSM-11 Pt/conventional GaZSM-11 mesoporous GaZSM-11 > conventional GaZSM-11. Hexane conversion reached 70.1% over mesoporous Pt/GaZSM-11 with Si/Ga of 61, as compared with 29.6 and 24.9% for corresponding mesoporous and conventional GaZSM-11 (Si/Ga = 94), respectively, for experiments at liquid hour space velocity of 3.6 h -1, and 540 °C. Comparison of BTX (benzene-toluene-xylene) selectivity at the conversion level of ∼21.0% revealed that Pt/mesoporous GaZSM-11 is more selective than corresponding mesoporous and conventional GaZSM-11. The BTX selectivity over Pt/mesoporous GaZSM-11 (Si/Ga = 94), which showed strong dependence on the conversion, reached 28.2%, whereas over corresponding mesoporous and conventional GaZSM-11catalysts reached 19.1% and 5.5%, respectively. A higher conversion and better selectivity can be attributed to the improved accessibility to the active extra-framework Ga species owing to the generation of mesopores inside the zeolite particles and shortening the contact time. It is worth mentioning that the prepared catalysts exhibited quite low activity in propane aromatization but exhibiting similar trends as for hexane aromatization. © 2011 Elsevier B.V. All rights reserved.

  16. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    and benzene rings in PDMS-PPMS copolymer was measured by UV-vis spectroscopy. The developed elastomers were inherently soft with enhanced electrical breakdown strength due to delocalized pi-electrons of aromatic rings attached to the silicone backbone. The dielectric relative permittivity of PDMS...

  17. Fate and biodegradability of sulfonated aromatic amines

    NARCIS (Netherlands)

    Tan, N.C.G.; Leeuwen, van A.; Voorthuizen, van E.M.; Slenders, P.; Prenafeta, F.X.; Temmink, H.; Lettinga, G.; Field, J.A.

    2005-01-01

    Ten sulfonated aromatic amines were tested for their aerobic and anaerobic biodegradability and toxicity potential in a variety of environmental inocula. Of all the compounds tested, only two aminobenzenesulfonic acid (ABS) isomers, 2- and 4-ABS, were degraded. The observed degradation occurred only

  18. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    , as well as the excitation energy from the collision between electron carriers and benzene rings in PDMS-PPMS copolymer was measured by UV-vis spectroscopy. The developed elastomers were inherently soft with enhanced electrical breakdown strength due to delocalized pi-electrons of aromatic rings attached...

  19. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

  20. RECOVERY OF URANIUM BY AROMATIC DITHIOCARBAMATE COMPLEXING

    Science.gov (United States)

    Neville, O.K.

    1959-08-11

    A selective complexing organic solvent extraction process is presented for the separation of uranium values from an aqueous nitric acid solution of neutron irradiated thorium. The process comprises contacting the solution with an organic aromatic dithiccarbamaie and recovering the resulting urancdithiccarbamate complex with an organic solvent such as ethyl acetate.

  1. THE POLYMERIZATION OF AROMATIC AND HETEROCYCLIC DINITRILES

    Institute of Scientific and Technical Information of China (English)

    HUANG Zhitang

    1988-01-01

    This review is a concise survey about the works in our laboratory on the polymerization of aromatic and heterocyclic dinitriles, including the polymerization kinetics and mechanism, synthesis of heterocyclic dinitriles, the structure of polymers, and the correlation between the structures of dinitriles and polymerization rates and thermal performances of polymers.

  2. Fate and biodegradability of sulfonated aromatic amines

    NARCIS (Netherlands)

    Tan, N.C.G.; Leeuwen, van A.; Voorthuizen, van E.M.; Slenders, P.; Prenafeta, F.X.; Temmink, H.; Lettinga, G.; Field, J.A.

    2005-01-01

    Ten sulfonated aromatic amines were tested for their aerobic and anaerobic biodegradability and toxicity potential in a variety of environmental inocula. Of all the compounds tested, only two aminobenzenesulfonic acid (ABS) isomers, 2- and 4-ABS, were degraded. The observed degradation occurred only

  3. 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

  4. Electronic Aromaticity Index for Large Rings

    CERN Document Server

    Matito, Eduard

    2015-01-01

    We introduce a new electronic aromaticity index, AV1245, consisting in the average of the 4-center MCI values along the ring that keep a positional relationship of 1,2,4,5. AV1245 measures the extent of transferability of the delocalized electrons between bonds 1-2 and 4-5, which is expected to be large in conjugated circuits and, therefore, in aromatic molecules. A new algorithm for the calculation of MCI for large rings is also introduced and used to produce the data for the calibration of the new aromaticity index. AV1245 does not rely on reference values, does not suffer from large numerical precision errors, and it does not present any limitation on the nature of atoms, the molecular geometry or the level of calculation. It is a size-extensive measure with a small computational cost that grows linearly with the number of ring members. Therefore, it is specially suitable to study the aromaticity of large molecular rings as those occurring in belt-shaped M\\"obius structures or porphyrins.

  5. 40 CFR 721.2925 - Brominated aromatic ester.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Brominated aromatic ester. 721.2925... Substances § 721.2925 Brominated aromatic ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a brominated aromatic ester (PMN...

  6. 40 CFR 721.2673 - Aromatic epoxide resin (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic epoxide resin (generic). 721... Substances § 721.2673 Aromatic epoxide resin (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as aromatic epoxide resin (PMN...

  7. 40 CFR 721.5762 - Aromatic aldehyde phenolic resin (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic aldehyde phenolic resin... Specific Chemical Substances § 721.5762 Aromatic aldehyde phenolic resin (generic). (a) Chemical substance... aromatic aldehyde phenolic resin (PMN P-01-573) is subject to reporting under this section for...

  8. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    Energy Technology Data Exchange (ETDEWEB)

    Kostjukov, Viktor V.; Khomytova, Nina M. [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine); Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas [Faculty of Chemical Sciences, Autonomous University of Puebla, Puebla (Mexico); Evstigneev, Maxim P., E-mail: max_evstigneev@mail.ru [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine)

    2011-10-15

    Graphical abstract: Highlights: > A protocol for decomposition of the free energy of aromatic stacking is developed. > The factors stabilizing/destabilizing stacking of aromatic molecules are defined. > Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  9. Microwave-assisted synthesis of α-hydroxy aromatic ketones from α-bromo aromatic ketones in water

    Institute of Scientific and Technical Information of China (English)

    Xiang Liu; Hai Bo Chen; Zheng Guang Pan; Jian He Xu; He Xing Li

    2011-01-01

    A reaction of α-bromo aromatic ketones in water with microwave irradiation gave the corresponding α-hydroxy aromatic ketones in good yields.The use of microwaves was found to significantly improve yields and shorten the reaction time.This reaction afforded a very clean,convenient method for the synthesis of α-hydroxy aromatic ketones.

  10. Indirect methane aromatization via oxidative coupling, products separation and aromatization steps

    Energy Technology Data Exchange (ETDEWEB)

    Skutil, Krzysztof; Taniewski, Marian [Silesian Technical University, Chair of Chemical Organic Technology and Petrochemistry, ul. Krzywoustego 4, 44-101 Gliwice (Poland)

    2007-09-15

    Integrated process of indirect methane aromatization, composed of the methane oxidative coupling (OCM), products separation for elimination of some components and aromatization of the remaining compounds to benzene, toluene and naphthalene, has been studied as an alternative to direct non-oxidative methane aromatization (MDA). Two modes of the integrated process were investigated in the continuous flow laboratory unit: IP 1 - composed of OCM, separation of CO{sub 2} and H{sub 2}O and aromatization and IP 2 - composed of OCM, separation of CO{sub 2}, H{sub 2}O and C{sub 2} hydrocarbons and aromatization. The OCM and aromatization steps were carried out in the presence of 1% Li/MgO at 1023 K and 4.3% Mo/HZSM-5 at 998 K, respectively. The aromatization of individuals - CH{sub 4}, C{sub 2}H{sub 4} and C{sub 2}H{sub 6} was also investigated. Under applied aromatization conditions about a half of ethylene was converted to aromatics whereas the other part to undesirable CH{sub 4} and deposit. It was confirmed that the removal from the OCM products such constituents, which exert detrimental effect on the course of aromatization (CO{sub 2} and H{sub 2}O), led to the marked increase in the aromatics yield in IP 1, as compared with MDA. The approximate additivity of the amounts of benzene formed from methane and from C{sub 2} hydrocarbons contained in the OCM products was observed. Thus, it was confirmed that both C{sub 2} hydrocarbons and CH{sub 4} contained in the OCM effluent gases participated in the formation of aromatics. A full conversion of more reactive C{sub 2} hydrocarbons and a partial conversion of less reactive CH{sub 4} were observed in the aromatization step. Hydrogen and benzene were the main products of the integrated IP 1 process. The hydrogen/benzene ratio was lower than in MDA due to participation of less hydrogen-producing C{sub 2}s in the formation of benzene. The overall CH{sub 4} conversion was, under applied conditions, somewhat higher than in MDA

  11. The Design of Reactions, Catalysts and Materials with Aromatic Ions

    Science.gov (United States)

    Bandar, Jeffrey Scott

    This thesis details the use of aromatic ions, especially aminocyclopropenium ions, as empowering design elements in the development of new chemical reactions, organic catalysts and polymeric materials. A particular focus is placed throughout on understanding the relationship between the structure of aromatic ions and their performance in these novel applications. Additionally, the benefits that aromatic ions provide in these contexts are highlighted. The first chapter briefly summarizes the Lambert Group's prior efforts toward exploiting the unique reactivity profiles of aromatic ions in the context of new reaction design. Also provided in the first chapter is a comprehensive literature review of aminocyclopropenium ions, upon which the majority of advances described in this thesis are based. To set the stage for the first application of aminocyclopropenium ions, Chapter 2 provides an account of existing highly Bronsted basic functional groups, including guanidines, proazaphosphatranes and iminophosphoranes. The provided review on the synthesis and use in asymmetric catalysis of these bases indicates that there is a high need for conceptually new Bronsted basic functional groups. To address this need, the development of chiral 2,3-bis(dialkylamino)cyclopropenimines as a new platform for asymmetric Bronsted base catalysis is described in Chapter 3. This new class of Bronsted base is readily synthesized on scale, operates efficiently under practical conditions, and greatly outperforms closely related guanidine-based catalysts. Structure-activity relationship studies, mechanistic experiments and computational transition state modeling are all discussed in the context of asymmetric glycinate imine Michael reactions in order to arrive at a working model for cyclopropenimine chemistry. Cumulatively, this chapter provides a "user's guide" to understanding and developing further applications of 2,3-bis(dialkylamino)cyclopropenimines. The use of our optimal chiral 2,3-bis

  12. Effect of different solvent on the photocatalytic activity of ZnIn2S4 for selective oxidation of aromatic alcohols to aromatic aldehydes under visible light irradiation

    Science.gov (United States)

    Su, Li; Ye, Xiangju; Meng, Sugang; Fu, Xianliang; Chen, Shifu

    2016-10-01

    A series of ternary chalcogenides, zinc indium sulphide (ZnIn2S4), were synthesized by a simple solvothermal method with different solvents. The structure, textural, and optical properties of the resulting materials were thoroughly characterized by several techniques. The as-prepared ZnIn2S4 samples could all be employed as excellent photocatalysts to activate O2 for selective oxidation of aromatic alcohols to aromatic aldehydes under visible light illumination. The results showed that ZnIn2S4 prepared in ethanol solvent (ZIS-EtOH) exhibited the highest photocatalytic activity among the screened samples. The differences of photocatalytic performance for ZnIn2S4 samples prepared in different media were mainly attributed to the different levels of exposed {0001} special facets caused by the exposure extent of the basic crystal plane. In addition, rad O2- and positive holes were proved to be the main active species during the photocatalytic process. Combined with the previous reports, a possible photocatalytic mechanism for the selective oxidation of benzyl alcohol to benzaldehyde over ZnIn2S4 sample was proposed.

  13. Mosquito repellent activity of volatile oils from selected aromatic plants.

    Science.gov (United States)

    Lalthazuali; Mathew, Nisha

    2017-02-01

    Essential oils from fresh leaves of four aromatic plants viz., Ocimum sanctum, Mentha piperita, Eucalyptus globulus and Plectranthus amboinicus were extracted by hydrodistillation. The test solutions were prepared as 20% essential oil in ethanol and positive control as 20% DEET in ethanol. Essential oil blend was prepared as 5% concentration. Nulliparous, 3-5-day-old female adult Aedes aegypti mosquitoes were used for repellency screening as per ICMR protocol. The study showed that the repellency of 20% essential oil of O. sanctum, M. piperita and P. amboinicus were comparable with that of the standard DEET (20%) as no mosquito landing on the test was observed up to 6 h. The E. globulus oil exhibited mosquito repellency only upto 1½ h. Considerable mosquito landing and feeding was displayed in negative control. In the case of the oil blend, no landing of mosquitoes was seen up to 6 h as that of positive control. The results showed that the essential oil blend from O. sanctum, M. piperita, E. globulus and P. amboinicus could repel Ae. aegypti mosquitoes or prevent from feeding as in the case of DEET even at a lower concentration of 5%. This study demonstrates the potential of essential oils from O. sanctum, M. piperita, E. globulus and P. amboinicus and their blend as mosquito repellents against Ae. aegypti, the vector of dengue, chikungunya and yellow fever.

  14. An efficient method for the preparation of tertiary esters by palladium-catalyzed alkoxycarbonylation of aryl bromides.

    Science.gov (United States)

    Xin, Zhuo; Gøgsig, Thomas M; Lindhardt, Anders T; Skrydstrup, Troels

    2012-01-06

    The palladium-catalyzed alkoxycarbonylation of aryl bromides is described for the efficient preparation of tertiary esters. The protocol proved compatible with a wide variety of functionalized (hetero)aromatic bromides, as well as several different sterically hindered tertiary alcohols, affording the alkoxycarbonylated products in high yields. Finally, the formation of aromatic trityl esters is discussed. © 2011 American Chemical Society

  15. Catalytic C-H bond silylation of aromatic heterocycles.

    Science.gov (United States)

    Toutov, Anton A; Liu, Wen-Bo; Betz, Kerry N; Stoltz, Brian M; Grubbs, Robert H

    2015-12-01

    This protocol describes a method for the direct silylation of the carbon-hydrogen (C-H) bond of aromatic heterocycles using inexpensive and abundant potassium tert-butoxide (KOt-Bu) as the catalyst. This catalytic cross-dehydrogenative coupling of simple hydrosilanes and various electron-rich aromatic heterocycles enables the synthesis of valuable silylated heteroarenes. The products thus obtained can be used as versatile intermediates, which facilitate the divergent synthesis of pharmaceutically relevant compound libraries from a single Si-containing building block. Moreover, a variety of complex Si-containing motifs, such as those produced by this protocol, are being actively investigated as next-generation therapeutic agents, because they can have improved pharmacokinetic properties compared with the original all-carbon drug molecules. Current competing methods for C-H bond silylation tend to be incompatible with functionalities, such as Lewis-basic heterocycles, that are often found in pharmaceutical substances; this leaves de novo synthesis as the principal strategy for preparation of the target sila-drug analog. Moreover, competing methods tend to be limited in the scope of hydrosilane that can be used, which restricts the breadth of silicon-containing small molecules that can be accessed. The approach outlined in this protocol enables the chemoselective and regioselective late-stage silylation of small heterocycles, including drugs and drug derivatives, with a broad array of hydrosilanes in the absence of precious metal catalysts, stoichiometric reagents, sacrificial hydrogen acceptors or high temperatures. Moreover, H2 is the only by-product generated. The procedure normally requires 48-75 h to be completed.

  16. Aromatic characterization of pot distilled kiwi spirits.

    Science.gov (United States)

    López-Vázquez, Cristina; García-Llobodanin, Laura; Pérez-Correa, José Ricardo; López, Francisco; Blanco, Pilar; Orriols, Ignacio

    2012-03-07

    This study contributes fundamental knowledge that will help to develop a distillate of kiwi wine, made from kiwis of the Hayward variety grown in the southwest of Galicia (Spain). Two yeast strains, L1 (Saccharomyces cerevisiae ALB-6 from the EVEGA yeast collection) and L2 (S. cerevisiae Uvaferm BDX from Lallemand) were assessed to obtain a highly aromatic distillate. The kiwi spirits obtained were compared with other fruit spirits, in terms of higher alcohols, minor alcohols, monoterpenols, and other minor compounds, which are relevant in determining the quality and taste of the kiwi spirits. It was found that the kiwi juice fermented with yeast L1 produced a more aromatic distillate. In addition, kiwi distillates produced with both yeasts had the same ratio of trans-3-hexen-1-ol and cis-3-hexen-1-ol, which is lower than that found in other fruit distillates.

  17. Side Chain Cyclized Aromatic Amino Acids

    DEFF Research Database (Denmark)

    Van der Poorten, Olivier; Knuhtsen, Astrid; Sejer Pedersen, Daniel

    2016-01-01

    Constraining the conformation of flexible peptides is a proven strategy to increase potency, selectivity, and metabolic stability. The focus has mostly been on constraining the backbone dihedral angles; however, the correct orientation of the amino acid side chains (χ-space) that constitute...... the peptide pharmacophore is equally important. Control of χ-space utilizes conformationally constrained amino acids that favor, disfavor, or exclude the gauche (-), the gauche (+), or the trans conformation. In this review we focus on cyclic aromatic amino acids in which the side chain is connected...... to the peptide backbone to provide control of χ(1)- and χ(2)-space. The manifold applications for cyclized analogues of the aromatic amino acids Phe, Tyr, Trp, and His within peptide medicinal chemistry are showcased herein with examples of enzyme inhibitors and ligands for G protein-coupled receptors....

  18. Aromatic Radicals-Acetylene Particulate Matter Chemistry

    Science.gov (United States)

    2011-12-01

    Ethynylcylcopentadiene (C5H5C2H) C CH m-Formylphenyl radical (C6H4CHO) C O Formyl cyclopentadiene (C5H5CHO) O Table 12. Structures of the species...FINAL REPORT Aromatic Radicals -Acetylene Particulate Matter Chemistry SERDP Project WP-1575 DECEMBER 2011 Kenneth Brezinsky University... Radicals -Acetylene Particulate Matter Chemistry W912HQ-07-C-0019 WP-1575Dr. Kenneth Brezinsky University of Illinois DBA: Office of Business and Financial

  19. Aromatic compounds from three Brazilian Lauraceae species

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva [UNESP, Araraquara, SP (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Nunomura, Sergio Massayoshi [Instituto Nacional de Pesquisa da Amazonia (INPA), Manaus, AM (Brazil). Dept. de Produtos Naturais; Yoshida, Massayoshi [Centro de Biotecnologia da Amazonia, Manaus, AM (Brazil)

    2010-07-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  20. Synthetic fuel aromaticity and staged combustion

    Energy Technology Data Exchange (ETDEWEB)

    Longanbach, J. R.; Chan, L. K.; Levy, A.

    1982-11-15

    Samples of middle and heavy SRC-II distillates were distilled into 50 C boiling point range fractions. These were characterized by measurements of their molecular weight, elemental analysis and basic nitrogen content and calculation of average molecular structures. The structures typically consisted of 1 to 3 aromatic rings fused to alicyclic rings with short, 1 to 3 carbon aliphatic side chains. The lower boiling fractions contained significant amounts (1 atom/molecule) of oxygen while the heavier fractions contained so few heteroatoms that they were essentially hydrocarbons. Laboratory scale oxidative-pyrolysis experiments were carried out at pyrolysis temperatures of 500 to 1100 C and oxygen concentrations from 0 to 100 percent of stoichiometry. Analysis of liquid products, collected in condensers cooled with liquid nitrogen showed that aromatization is a major reaction in the absence of oxygen. The oxygen-containing materials (phenolics) seem to be more resistant to thermal pyrolysis than unsubstituted aromatics. Nitrogen converts from basic to nonbasic forms at about 500 C. The nonbasic nitrogen is more stable and survives up to 700 C after which it is slowly removed. A recently constructed 50,000 Btu/hr staged combustor was used to study the chemistry of the nitrogen and aromatics. SRC II combustion was studied under fuel-rich, first-stage conditions at air/fuel ratios from 0.6 to 1.0 times stoichiometric. The chemistry of the fuel during combustion calls for further investigation in order to examine the mechanism by which HCN is evolved as a common intermediate for the formation of the nitrogen-containing gaseous combustion products. 25 references, 45 figures, 25 tables.

  1. Aromatics Oxidation and Soot Formation in Flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J. B.; Richter, H.

    2005-03-29

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

  2. Aromatics Oxidation and Soot Formation in Flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J. B.; Richter, H.

    2005-03-29

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

  3. Reusable and Efficient Polystryrene-supported Acidic Ionic Liquid Catalyst for Mononitration of Aromatic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Li, Li Xia; Ling, Qi Long; Liu, Zu Liang; Xing, Xiao Dong; Zhu, Xiao Qin; Meng, Xiao [Nanjing Univ. of Science and Technology, Nanjing (China)

    2012-10-15

    A series of polystyrene-supported 1-(propyl-3-sulfonate)-3-methyl-imidazolium hydrosulfate acidic ionic liquid (PS-[SO{sub 3}H-PMIM][HSO{sub 4}]) catalysts were prepared and tested for mononitration of simple aromatics compounds with nitric acid. It was found that the reactivity of the catalysts increased with increasing [SO{sub 3}HPMIM][HSO{sub 4}] content. The para-selectivity was not only related to the [SO{sub 3}H-PMIM][HSO{sub 4}] content but also the substituent groups in aromatics. A reaction mechanism of nitration over this new catalyst was proposed. The catalytic activity of this catalyst decreased slightly after fifth runs in the synthesis of nitrotoluene.

  4. Towards a zero-waste oxidative coupling of nonactivated aromatics by supported gold nanoparticles.

    Science.gov (United States)

    Serna, Pedro; Corma, Avelino

    2014-08-01

    We show that gold nanoparticles are able to perform the direct oxidative coupling of nonactivated aromatics with O2 as the only co-reagent. In this reaction, the aromatic acts both as reactant and solvent. Biphenyl, for example, can be obtained from benzene with high selectivity and a turnover number (TON) of 230 per pass. Similarly, several substituted biaryls can be prepared. Pd performs only one TON and even when a second catalytic functionality is introduced, together with strong acidic conditions, TON is always lower than 100. Other catalysts require iodine for performing the reaction, leading to 2 kg of waste for 1 kg of biphenyl formed, whereas no waste is created by the oxidative coupling with gold nanoparticles. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Aromatic compound degradation by iron reducing bacteria isolated from irrigated tropical paddy soils

    Institute of Scientific and Technical Information of China (English)

    LU Wenjing; WANG Hongtao; HUANG Changyong; W. Reichardt

    2008-01-01

    Forty-six candidate phenol/benzoate degrading-iron reducing bacteria were isolated from long term irrigated tropical paddy soils by enrichment procedures. Pure cultures and some prepared mixed cultures were examined for ferric oxide reduction and phenol/benzoate degradation. All the isolates were iron reducers, but only 56.5% could couple iron reduction to phenol and/or benzoate degradation, as evidenced by depletion of phenol and benzoate after one week incubation. Analysis of degradative capability using Biolog MT plates revealed that most of them could degrade other aromatic compounds such as ferulic acid, vanillic acid, and hydroxybenzoate. Mixed-cultures and soft samples displayed greater capacity for aromatic degradation and iron reduction than pure bacterial isolates, suggesting that these reactions may be coupled via a consortia-based mechanism in paddy soils.

  6. [Asymmetric synthesis of aromatic L-amino acids catalyzed by transaminase].

    Science.gov (United States)

    Xia, Wenna; Sun, Yu; Min, Cong; Han, Wei; Wu, Sheng

    2012-11-01

    Aromatic L-Amino acids are important chiral building blocks for the synthesis of many drugs, pesticides, fine chemicals and food additives. Due to the high activity and steroselectivity, enzymatic synthesis of chiral building blocks has become the main research direction in asymmetric synthesis field. Guided by the phylogenetic analysis of transaminases from different sources, two representative aromatic transaminases TyrB and Aro8 in type I subfamily, from the prokaryote Escherichia coli and eukaryote Saccharomyces cerevisia, respectively, were applied for the comparative study of asymmetric transamination reaction process and catalytic efficiency of reversely converting keto acids to the corresponding aromatic L-amino acid. Both TyrB and Aro8 could efficiently synthesize the natural aromatic amino acids phenylalanine and tyrosine as well as non-natural amino acid phenylglycine. The chiral HPLC analysis showed the produced amino acids were L-configuration and the e.e value was 100%. L-alanine was the optimal amino donor, and the transaminase TyrB and Aro8 could not use D-amino acids as amino donor. The optimal molar ratio of amino donor (L-alanine) and amino acceptor (aromatic alpha-keto acids) was 4:1. Both of the substituted group on the aromatic ring and the length of fatty acid carbon chain part in the molecular structure of aromatic substrate alpha-keto acid have the significant impact on the enzyme-catalyzed transamination efficiency. In the experiments of preparative-scale transamination synthesis of L-phenylglycine, L-phenylalanine and L-tyrosine, the specific production rate catalyzed by TryB were 0.28 g/(g x h), 0.31 g/(g x h) and 0.60 g/(g x h) and the specific production rate catalyzed by Aro8 were 0.61 g/(g x h), 0.48 g/(g x h) and 0.59 g/(g x h). The results obtained here were useful for applying the transaminases to asymmetric synthesis of L-amino acids by reversing the reaction balance in industry.

  7. Effect of interlayer cations of montmorillonite on the biodegradation and adsorption of crude oil polycyclic aromatic compounds.

    Science.gov (United States)

    Ugochukwu, Uzochukwu C; Manning, David A C; Fialips, Claire I

    2014-09-01

    Cation exchange capacity, surface acidity and specific surface area are surface properties of clay minerals that make them act as catalysts or supports in most biogeochemical processes hence making them play important roles in environmental control. However, the role of homoionic clay minerals during the biodegradation of polycyclic aromatic compounds is not well reported. In this study, the effect of interlayer cations of montmorillonites in the removal of some crude oil polycyclic aromatic compounds during biodegradation was investigated in aqueous clay/oil microcosm experiments with a hydrocarbon degrading microorganism community. The homoionic montmorillonites were prepared via cation exchange reactions by treating the unmodified montmorillonite with the relevant metallic chloride. The study indicated that potassium-montmorillonite and zinc-montmorillonite did not enhance the biodegradation of the polycyclic aromatic hydrocarbons whereas calcium-montmorillonite, and ferric-montmorillonite enhanced their biodegradation significantly. Adsorption of polycyclic aromatic hydrocarbons was significant during biodegradation with potassium- and zinc-montmorillonite where there was about 45% removal of the polycyclic aromatic compounds by adsorption in the experimental microcosm containing 5:1 ratio (w/w) of clay to oil.

  8. Isoquinolinium bromochromate: An efficient and stable reagent for bromination of hydroxylated aromatic compounds and oxidation of alcohols

    Institute of Scientific and Technical Information of China (English)

    Sandeep V. Khansole; Shivaji B. Patwari; Archana Y. Vibhute; Yeshwant B. Vibhute

    2009-01-01

    The new chromium (VI) oxidizing reagent isoquinolinium bromochromate (IQBC) was prepared and characterized. The IQBC has been found to be stable and an efficient solid reagent which can be easily prepared in good yield. It act as an efficient brominating reagent for hydroxylated aromatic compounds as well as good oxidizing reagent for the conversion of alcohols to carbonyl compounds in good to excellent yield. The synthesized isoquinolinium bromochromate is more ideal reagent, with number of specification including: higher yield, mild conditions and easy preparation. The results obtained with isoquinolinium bromochromate are satisfactory and suggest that the reagent has few advantages over the existing chromium (VI) reagents.

  9. Risk of colorectal adenomas in relation to meat consumption, meat preparation, and genetic susceptibility in a Dutch population

    NARCIS (Netherlands)

    Tiemersma, E.W.; Voskuil, D.W.; Bunschoten, A.; Kok, F.J.; Kampman, E.

    2004-01-01

    Objective: We studied the association between meat consumption and colorectal adenomas, and potential influence of genetic susceptibility to heterocyclic aromatic amines (HCAs) formed during meat cooking at high temperatures. Methods: We studied HCA concentration in relation to preparation habits am

  10. Monobromination of Activated Aromatic Compounds withPolyvinylbenzyltriphenylphosphonium Supported Tribromide

    Institute of Scientific and Technical Information of China (English)

    WU Ming-Hu; YANG Gui-Chun; CHEN Zu-Xing

    2001-01-01

    Chloromethylated crosslinked co-polyvinylbenzene-divinylber-zene (2% DVB) was treated with triphenylphospbhie and then with sodium bromate and hydrobromic acid to afford red col-ored insoluble polyvinylbenzyltriphenylphosphon supportedtribromide.This reagent could be used as a mild and efficient monobrominating reagent for activated aromatic compounds such as phenols,aromatic,aromatic amines and acety-lanilines with good yields and high para-selectivity.

  11. Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

    DEFF Research Database (Denmark)

    Arcangeli, Jean-Pierre; Arvin, Erik

    1995-01-01

    This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols, chlorophe......This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols...

  12. Phenylnaphthalenes: sublimation equilibrium, conjugation, and aromatic interactions.

    Science.gov (United States)

    Lima, Carlos F R A C; Rocha, Marisa A A; Schröder, Bernd; Gomes, Lígia R; Low, John N; Santos, Luís M N B F

    2012-03-22

    In this work, the interplay between structure and energetics in some representative phenylnaphthalenes is discussed from an experimental and theoretical perspective. For the compounds studied, the standard molar enthalpies, entropies and Gibbs energies of sublimation, at T = 298.15 K, were determined by the measurement of the vapor pressures as a function of T, using a Knudsen/quartz crystal effusion apparatus. The standard molar enthalpies of formation in the crystalline state were determined by static bomb combustion calorimetry. From these results, the standard molar enthalpies of formation in the gaseous phase were derived and, altogether with computational chemistry at the B3LYP/6-311++G(d,p) and MP2/cc-pVDZ levels of theory, used to deduce the relative molecular stabilities in various phenylnaphthalenes. X-ray crystallographic structures were obtained for some selected compounds in order to provide structural insights, and relate them to energetics. The thermodynamic quantities for sublimation suggest that molecular symmetry and torsional freedom are major factors affecting entropic differentiation in these molecules, and that cohesive forces are significantly influenced by molecular surface area. The global results obtained support the lack of significant conjugation between aromatic moieties in the α position of naphthalene but indicate the existence of significant electron delocalization when the aromatic groups are in the β position. Evidence for the existence of a quasi T-shaped intramolecular aromatic interaction between the two outer phenyl rings in 1,8-di([1,1'-biphenyl]-4-yl)naphthalene was found, and the enthalpy of this interaction quantified on pure experimental grounds as -(11.9 ± 4.8) kJ·mol(-1), in excellent agreement with the literature CCSD(T) theoretical results for the benzene dimer.

  13. Aromatic plant production on metal contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Zheljazkov, Valtcho D. [Mississippi State, Department of Plant and Soil Sciences and North Mississippi Research and Extension Center, 5421 Highway 145 South, Verona, MS 38879 (United States)], E-mail: vj40@pss.msstate.edu; Craker, Lyle E.; Xing Baoshan [Department of Plant and Soil Sciences, 12 Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States); Nielsen, Niels E. [Plant Nutrition and Soil Fertility Lab, Department of Agricultural Sciences, Royal Veterinary and Agricultural University, Thorvaldsensvej 40, DK1871, Copenhagen (Denmark); Wilcox, Andrew [Harper Adams University College, Newport, Shropshire, TF10 8NB (United Kingdom)

    2008-06-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha{sup -1} for Cd, 660 g ha{sup -1} for Pb, 180 g ha{sup -1} for Cu, 350 g ha{sup -1} for Mn, and 205 g ha{sup -1} for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 {mu}m) particles, although there were larger particles (1-5 {mu}m) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil.

  14. Direct-immersion solid-phase microextraction coupled to fast gas chromatography mass spectrometry as a purification step for polycyclic aromatic hydrocarbons determination in olive oil.

    Science.gov (United States)

    Purcaro, Giorgia; Picardo, Massimo; Barp, Laura; Moret, Sabrina; Conte, Lanfranco S

    2013-09-13

    The aim of the present work was to optimize a preparation step for polycyclic aromatic hydrocarbons in a fatty extract. Solid-phase microextraction is an easy preparation technique, which allows to minimize solvent consumption and reduce sample manipulation. A Carbopack Z/polydimethylsiloxane fiber, particularly suitable for extraction of planar compounds, was employed to extract polycyclic aromatic hydrocarbons from a hexane solution obtained after a previous extraction with acetonitrile from oil, followed by a liquid-liquid partition between acetonitrile and hexane. The proposed method was a rapid and sensitive solution to reduce the interference of triglycerides saving the column life and avoiding frequent cleaning of the mass spectrometer ion source. Despite the non-quantitative extraction of polycyclic aromatic hydrocarbons from oil using acetonitrile, the signal-to-noise ratio was significantly improved obtaining a limit of detection largely below the performance criteria required by the European Union legislation.

  15. Aromatics oxidation and soot formation in flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T. [Massachusetts Institute of Technology, Cambridge (United States)

    1993-12-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify and to determine or confirm rate constants for the main benzene oxidation reactions in flames, and to characterize fullerenes and their formation mechanisms and kinetics.

  16. Metabolism of aromatic compounds by Caulobacter crescentus

    Energy Technology Data Exchange (ETDEWEB)

    Chatterjee, D.K.; Bourquin, A.W.

    1987-05-01

    Cultures of Caulobacter crescentus were found to grow on a variety of aromatic compounds. Degradation of benzoate, p-hydroxybenzoate, and phenol was found to occur via ..beta..-ketoadipate. The induction of degradative enzymes such as benzoate 1,2-dioxygenase, the ring cleavage enzyme catechol 1,2-dioxygenase, and cis,cis-muconate lactonizing enzyme appeared similar to the control mechanism present in Pseudomonas spp. Both benzoate 1,2-dioxygenase and catechol 1,2-dioxygenase had stringent specificities, as revealed by their action toward substituted benzoates and substituted catechols, respectively.

  17. Photoinduced dynamics in protonated aromatic amino acid

    CERN Document Server

    Grégoire, Gilles; Barat, Michel; Fayeton, Jacqueline; Dedonder-Lardeux, Claude; Jouvet, Christophe

    2008-01-01

    UV photoinduced fragmentation of protonated aromatics amino acids have emerged the last few years, coming from a situation where nothing was known to what we think a good understanding of the optical properties. We will mainly focus this review on the tryptophan case. Three groups have mostly done spectroscopic studies and one has mainly been involved in dynamics studies of the excited states in the femtosecond/picosecond range and also in the fragmentation kinetics from nanosecond to millisecond. All these data, along with high level ab initio calculations, have shed light on the role of the different electronic states of the protonated molecules upon the fragmentation mechanisms.

  18. Selection of ionic liquids for the extraction of aromatic hydrocarbons from aromatic/aliphatic mixtures

    NARCIS (Netherlands)

    Meindersma, G. Wytze; Podt, Anita (J.G.); Haan, de André B.

    2005-01-01

    The separation of aromatic hydrocarbons (benzene, toluene, ethyl benzene and xylenes) from C4 to C10 aliphatic hydrocarbon mixtures is challenging since these hydrocarbons have boiling points in a close range and several combinations form azeotropes. In this work, we investigated the separation of t

  19. Aromatic metabolism of filamentous fungi in relation to the presence of aromatic compounds in plant biomass

    NARCIS (Netherlands)

    Mäkelä, Miia R; Marinović, Mila; Nousiainen, Paula; Liwanag, April J M; Benoit, Isabelle; Sipilä, Jussi; Hatakka, Annele; de Vries, Ronald P; Hildén, Kristiina S

    2015-01-01

    The biological conversion of plant lignocellulose plays an essential role not only in carbon cycling in terrestrial ecosystems but also is an important part of the production of second generation biofuels and biochemicals. The presence of the recalcitrant aromatic polymer lignin is one of the major

  20. Multicenter bond index analysis of influence of metal cations on the aromaticity of aromatic amino acids: Phenylalanine and tyrosine

    Science.gov (United States)

    Pakiari, A. H.; Farrokhnia, M.; Azami, S. M.

    2008-05-01

    In order to provide insight into the influence of metal cations on the aromaticity of amino acids, evaluation of six-center delocalization indices is accomplished in the context of quantum theory of atoms in molecules (QTAIM). Aromaticity of two amino acids, phenylalanine and tyrosine, is investigated as typical amino acids containing aromatic ring in their isolated state and complexed by some metal cations. The results showed that the metal cations affect the most important three connectivities differently. Also, it is shown that the existence of metal cations can increase two-center delocalization in certain parts of the aromatic rings.

  1. Hierarchical Porous ZSM-5 Zeolite Synthesized by in situ Zeolitization and Its Coke Deposition Resistance in Aromatization Reaction

    Institute of Scientific and Technical Information of China (English)

    张珂; 柳云骐; 赵晋翀; 刘晨光

    2012-01-01

    Hierarchical ZSM-5 zeolites with micro-, meso- and macroporosity were prepared from diatomite zeolitization through a vapor-phase transport process on solid surfaces. The aromatization performance of the catalysts was in- vestigated on a fixed bed reactor by using FCC gasoline as feedstock. The crystal phase, morphology, pore struc- tures, acidity and coke depositions of the hierarchical ZSM-5 zeolites were characterized by means of X-ray diffrac- tion (XRD), scanning electron microscope (SEM), N2 adsorption/desorption, Fourier transform infrared (FT-IR) and thermogravimetry-mass spectrogram (TG-MS), respectively. The results show that the prepared hierarchical ZSM-5 zeolite possesses excellent porosity and high crystallinity, displaying an improved aromatization performance and carbon deposition resistance due to its meso- and macroporous structures.

  2. Self-assembly of aromatic-functionalized amphiphiles: The role and consequences of aromatic-aromatic noncovalent interactions in building supramolecular aggregates and novel assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Whitten, D.G.; Chen, L.; Geiger, H.C.; Perlstein, J.; Song, X. [Los Alamos National Lab., NM (United States). Chemical Science and Technology Div.]|[Univ. of Rochester, NY (United States)

    1998-12-10

    This feature article presents an overview of a study of several different aromatic-functionalized amphiphiles-fatty acid and phospholipid derivatives. These amphiphiles form organized assemblies when the fatty acids are spread as monolayers at the air-water interface or when the phospholipids are dispersed in aqueous solutions. For a wide range of aromatic chromophores--trans-stilbene derivatives and a series of vinylogues (1,4-diphenyl-1,3-butadiene and 1,6-diphenyl-1,3,5-hexatriene), diphenylacetylenes, and azobenzenes such as phenyl, biphenyl, and terphenyl derivatives and modified stilbenes (styryl thiophenes and styryl naphthalenes)--assembly formation is accompanied by formation of aggregates of the aromatic groups. Results of experimental studies and simulations indicate that in many cases the aromatics form a small, stable unit aggregate characterized by strong noncovalent edge-to-face interactions among adjacent aromatics. Although the unit aggregates exhibit characteristic spectral shifts and strong induced circular dichroism indicating a chiral pinwheel aggregate structure, they may be packed together in pure films or dispersions to form an extended glide or herringbone structure. Although the pinwheel unit aggregate and the extended glide or herringbone structure. Although the pinwheel unit aggregate and the extended glide structure is favored for the majority of aromatics studied, for certain aromatics (styrenes, styrylthiophenes, and {alpha}-styrylnaphthalenes) a translation layer, characterized by face-to-face noncovalent interactions, is preferred. The glide or herringbone aggregates are readily distinguished from the translation aggregates by different spectral signatures and different photochemical and photophysical behavior. Factors controlling the type of aggregate and hence extended structure formed from different aromatic functionalized aromatics include shape and steric factors and strength of the competing noncovalent edge-face and face

  3. Standardising and validating aromatic profile analysis by an electronic nose

    Directory of Open Access Journals (Sweden)

    Carlos Mario Zuluaga

    2011-05-01

    Full Text Available  The electronic nose is one of the most innovative techniques which had been used in the analysis of food and other aroma matrices. This device imitates the human olfactory system through sensors which are partially specific for different groups of volatile chemicals and differentiating and classifying food (by involving multivariate statistics and it is also used for establishing quality and control parameters. Although the technique has been increasingly applied in research and industry, few studies have been published in the scientific literature referring to validating its use as an analytical methodology. This work’s main objective was to standardise and validate the aromatic profile analysis method for differentiating apiculture products: honey, pollen and propolis. Standardisation involved modifying sample preparation and system variables while validation involved analysis of repeatability and intermediate repeatability of the method and establishing its uncertainty. The results showed that it was possible to set suitable operational parameters for each apicultural product while validation data showed that this technique did not reveal significant differences as reliable values were obtained when using this device as an analysis and quality control tool. 

  4. Sulfur tolerant zeolite supported platinum catalysts for aromatics hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Bergem, Haakon

    1997-12-31

    The increased demand for transportation fuels at the expence of heavier fuel oil has forced the refinery industry to expand their conversion capacity with hydrotreating as one of the key processes. A shift towards more diesel powered vehicles along with tightening fuel regulations demanding cleaner fuels has lead to increasing interest in catalytic processes for the manufacturing of such environmentally acceptable fuels. This provides the motivation for this thesis. Its main objective was to study possible catalysts active for desulfurization, hydrogenation, and ring-opening of aromatics all in the presence of sulfur. A close examination of the physical properties and kinetical behaviour of the chosen catalysts has been performed. A high pressure reactor setup was designed and built for activity measurements. Zeolite supported platinum catalysts were prepared and both the metal and acid functions were characterized utilizing various experimental techniques. Hydrogenation of toluene was used as a model reaction and the effect of sulfur adsorption on the activity and kinetic behaviour of the catalysts was investigated. The catalyst samples showed hydrogenation activities comparable to a commercial Pt/Al2O3 catalyst. There were no clear differences in the effect of the various sulfur compounds studied. Platinum supported on zeolite Y gave considerably more sulfur tolerant catalysts compared to Al2O3 as support. 155 refs., 58 figs., 36 tabs.

  5. Soil sealing degree as factor influencing urban soil contamination with polycyclic aromatic hydrocarbons (PAHs

    Directory of Open Access Journals (Sweden)

    Mendyk Łukasz

    2016-03-01

    Full Text Available The objective of the study was to determine role of soil sealing degree as the factor influencing soil contamination with polycyclic aromatic hydrocarbons (PAHs. The study area included four sampling sites located within the administrative boundaries of the Toruń city, Poland. Sampling procedure involved preparing soil pits representing three examples of soil sealing at each site: non-sealed soil as a control one (I and two degrees of soil sealing: semi-pervious surface (II and totally impervious surface (III. Together with basic properties defined with standard procedures (particle size distribution, pH, LOI, content of carbonates content of selected PAHs was determined by dichloromethane extraction using gas chromatography with mass spectrometric detection (GC-MS. Obtained results show that urban soils in the city of Toruń are contaminated with polycyclic aromatic hydrocarbons. Soil sealing degree has a strong influence on the soil contamination with polycyclic aromatic hydrocarbons. Totally sealed soils are better preserved from atmospheric pollution including PAHs. Combustion of grass/wood/coal was the main source of determined PAHs content in examined soils.

  6. Aromaticity-Controlled Energy Storage Capacity of the Dihydroazulene-Vinylheptafulvene Photochromic System.

    Science.gov (United States)

    Skov, Anders B; Broman, Søren Lindbaek; Gertsen, Anders S; Elm, Jonas; Jevric, Martyn; Cacciarini, Martina; Kadziola, Anders; Mikkelsen, Kurt V; Nielsen, Mogens Brøndsted

    2016-10-04

    Photochemical conversion of molecules into high-energy isomers that, after a stimulus, return to the original isomer presents a closed-cycle of light-harvesting, energy storage, and release. One challenge is to achieve a sufficiently high energy storage capacity. Here, we present efforts to tune the dihydroazulene/vinylheptafulvene (DHA/VHF) couple through loss/gain of aromaticity. Two derivatives were prepared, one with aromatic stabilization of DHA and the second of VHF. The consequences for the switching properties were elucidated. For the first type, sigmatropic rearrangements of DHA occurred upon irradiation. Formation of a VHF complex could be induced by a Lewis acid, but addition of H2 O resulted in immediate regeneration of DHA. For the second type, the VHF was too stable to convert into DHA. Calculations support the results and provide new targets. We predict that by removing one of the two CN groups at C-1 of the aromatic DHA, the heat storage capacity will be further increased, as will the life-time of the VHF. Calculations also reveal that a CN group at the fulvene ring retards the back-reaction, and we show synthetically that it can be introduced regioselectively.

  7. Functional diversity of bacterial genes associated with aromatic hydrocarbon degradation in anthropogenic dark earth of Amazonia

    Directory of Open Access Journals (Sweden)

    Mariana Gomes Germano

    2012-05-01

    Full Text Available The objective of this work was to evaluate the catabolic gene diversity for the bacterial degradation of aromatic hydrocarbons in anthropogenic dark earth of Amazonia (ADE and their biochar (BC. Functional diversity analyses in ADE soils can provide information on how adaptive microorganisms may influence the fertility of soils and what is their involvement in biogeochemical cycles. For this, clone libraries containing the gene encoding for the alpha subunit of aromatic ring-hydroxylating dioxygenases (α-ARHD bacterial gene were constructed, totaling 800 clones. These libraries were prepared from samples of an ADE soil under two different land uses, located at the Caldeirão Experimental Station - secondary forest (SF and agriculture (AG -, and the biochar (SF_BC and AG_BC, respectively. Heterogeneity estimates indicated greater diversity in BC libraries; and Venn diagrams showed more unique operational protein clusters (OPC in the SF_BC library than the ADE soil, which indicates that specific metabolic processes may occur in biochar. Phylogenetic analysis showed unidentified dioxygenases in ADE soils. Libraries containing functional gene encoding for the alpha subunit of the aromatic ring-hydroxylating dioxygenases (ARHD gene from biochar show higher diversity indices than those of ADE under secondary forest and agriculture.

  8. Knitting aromatic polymers for efficient solid-phase microextraction of trace organic pollutants.

    Science.gov (United States)

    Liu, Shuqin; Hu, Qingkun; Zheng, Juan; Xie, Lijun; Wei, Songbo; Jiang, Ruifen; Zhu, Fang; Liu, Yuan; Ouyang, Gangfeng

    2016-06-10

    A series of knitting aromatic polymers (KAPs) were successfully synthesized using a simple one-step Friedel-Crafts alkylation of aromatic monomers and were characterized by transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, and X-ray photoelectron spectroscopy (XPS). Then, as-synthesized KAPs with large surface areas, unique pore structures and high thermal stability were prepared as solid-phase microextraction (SPME) coatings that exhibited good extraction abilities for a series of benzene compounds (i.e., benzene, toluene, ethylbenzene and m-xylene, which are referred to as BTEX) and polycyclic aromatic hydrocarbons (PAHs). Under the optimized conditions, the methodologies established for the determination of BTEX and PAHs using the KAPs-triPB and KAPs-B coatings, respectively, possessed wide linear ranges, low limits of detection (LODs, 0.10-1.13ngL(-1) for BTEX and 0.05-0.49ngL(-1) for PAHs) and good reproducibility. Finally, the proposed methods were successfully applied to the determination of BTEX and PAHs in environmental water samples, and satisfactory recoveries (93.6-124.2% for BTEX and 77.2-113.3% for PAHs) were achieved. This study provides a benchmark for exploiting novel microporous organic polymers (MOPs) for SPME applications.

  9. Molecular dynamics studies of aromatic hydrocarbon liquids

    Energy Technology Data Exchange (ETDEWEB)

    McLaughlin, E.; Gupta, S.

    1990-01-01

    This project mainly involves a molecular dynamics and Monte Carlo study of the effect of molecular shape on thermophysical properties of bulk fluids with an emphasis on the aromatic hydrocarbon liquids. In this regard we have studied the modeling, simulation methodologies, and predictive and correlating methods for thermodynamic properties of fluids of nonspherical molecules. In connection with modeling we have studied the use of anisotropic site-site potentials, through a modification of the Gay-Berne Gaussian overlap potential, to successfully model the aromatic rings after adding the necessary electrostatic moments. We have also shown these interaction sites should be located at the geometric centers of the chemical groups. In connection with predictive methods, we have shown two perturbation type theories to work well for fluids modeled using one-center anisotropic potentials and the possibility exists for extending these to anisotropic site-site models. In connection with correlation methods, we have studied, through simulations, the effect of molecular shape on the attraction term in the generalized van der Waals equation of state for fluids of nonspherical molecules and proposed a possible form which is to be studied further. We have successfully studied the vector and parallel processing aspects of molecular simulations for fluids of nonspherical molecules.

  10. Inhalation toxicity of high flash aromatic naphtha.

    Science.gov (United States)

    Clark, D G; Butterworth, S T; Martin, J G; Roderick, H R; Bird, M G

    1989-05-01

    A petroleum distillate--a high aromatic naphtha--consisting of a 50/50 blended mixture of equivalent products. SHELLSOL A* and SOLVESSO 100**, containing C9 isomers (75 percent) particularly trimethyl benzenes, was examined for systemic toxicity in rats by inhalation exposure. A preliminary 13-week inhalation study with SHELLSOL A had resulted in liver and kidney weight increases in female rats at the high (7400 mg/m3) and medium (3700 mg/m3) exposure levels, and a low grade anaemia in females at all exposure levels (7400, 3700 and 1800 mg/m3). The follow-up 12-month inhalation study in rats described here used atmosphere generated from the SHELLSOL A/SOLVESSO 100 blend of 1800, 900 and 450 mg/m3. Initial reduction in body weight gain occurred in both male and female rats at the higher exposures. Various statistically significant haematological changes were transiently seen in males up to six months, but were not considered biologically significant. High exposure male liver and kidney weights were increased at 6 and 12 months but, in the absence of histopathological changes, were considered to be physiological adaptive responses. No treatment-related histopathological abnormalities were found. It is concluded that chronic exposure to this high aromatic naphtha is without systemic toxicity in rats under the conditions of these studies.

  11. Aromatics oxidation and soot formation in flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T.

    1993-04-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify, and to confirm or determine rate constants for, the main benzene oxidation reactions in flames, and to characterize soot and fullerenes and their formation mechanisms and kinetics. Stable and radical species profiles in the aromatics oxidation study are measured using molecular beam sampling with on-line mass spectrometry. The rate of soot formation measured by conventional optical techniques is found to support the hypotheses that particle inception occurs through reactive coagulation of high molecular weight PAH in competition with destruction by OHattack, and that the subsequent growth of the soot mass occurs through addition reactions of PAH and C[sub 2]H[sub 2] with the soot particles. During the first year of this reporting period, fullerenes C[sub 60] and C[sub 70] in substantial quantities were found in the flames being studied. The fullerenes were recovered, purified and spectroscopically identified. The yields of C[sub 60] and C[sub 70] were then determined over ranges of conditions in low-pressure premixed flames of benzene and oxygen.

  12. Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don [Department of Chemistry, University of California, Berkeley, CA (United States)

    2017-04-18

    Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Initial microbial degradation of polycyclic aromatic hydrocarbons

    Directory of Open Access Journals (Sweden)

    Milić Jelena

    2016-01-01

    Full Text Available The group of polycyclic aromatic hydrocarbons (PAHs are very hazardous environmental pollutants because of their mutagenic, carcinogenic and toxic effects on living systems. The aim of this study was to examine and compare the ability and efficiency of selected bacterial isolates obtained from oil-contaminated areas to biodegrade PAHs. The potential of the bacteria to biodegrade various aromatic hydrocarbons was assessed using the 2,6-dichlorophenol-indophenol assay. Further biodegradation of PAHs was monitored by gravimetric and gas-chromatographic analysis. Among the eight bacterial isolates, identified on the basis of 16S rDNA sequences, two isolates, Planomicrobium sp. RNP01 and Rhodococcus sp. RNP05, had the ability to grow on and utilize almost all examined hydrocarbons. Those isolates were further examined for biodegradation of phenanthrene and pyrene, as single substrates, and as a mixture, in vitro for ten days. After three days, both isolates degraded a significant amount phenanthrene, which has a simpler chemical structure than pyrene. Planomicrobium sp.RNP01 commenced biodegradation of pyrene in the PAH mixture only after it had almost completly degraded phenanthrene. The isolated and characterized bacteria, Planomicrobium sp. RNP01 and Rhodococcus sp. RNP05, have shown high bioremediation potential and are likely candidates to be used for degradation of highly toxic PAHs in contaminated areas. [Projekat Ministarstva nauke Republike Srbije, br. III43004

  14. An Aromatic Inventory of the Local Volume

    CERN Document Server

    Marble, A R; van Zee, L; Dale, D A; Smith, J D T; Gordon, K D; Wu, Y; Lee, J C; Kennicutt, R C; Skillman, E D; Johnson, L C; Block, M; Calzetti, D; Cohen, S A; Lee, H; Schuster, M D

    2010-01-01

    Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (AFE, but also commonly referred to as PAH emission) for a statistically complete sample of star-forming galaxies in the local volume. The photometric methodology involved is calibrated and demonstrated to recover the aromatic fraction of the IRAC 8 micron flux with a standard deviation of 6% for a training set of 40 SINGS galaxies (ranging from stellar to dust dominated) with both suitable mid-infrared Spitzer IRS spectra and equivalent photometry. A potential factor of two improvement could be realized with suitable 5.5 and 10 micron photometry, such as what may be provided in the future by JWST. The resulting technique is then applied to mid-infrared photometry for the 258 galaxies from the Local Volume Legacy (LVL) survey, a large sample dominated in number by low-luminosity dwarf galaxies for which obtaining comparable mid-infrared spectroscopy is not feasible. We find the total LVL lum...

  15. Catalytic C-H imidation of aromatic cores of functional molecules: ligand-accelerated Cu catalysis and application to materials- and biology-oriented aromatics.

    Science.gov (United States)

    Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro

    2015-02-25

    Versatile imidation of aromatic C-H bonds was accomplished. In the presence of copper bromide and 6,6'-dimethyl-2,2'-bipyridyl, a range of aromatics, such as polycyclic aromatic hydrocarbons, aromatic bowls, porphyrins, heteroaromatics, and natural products, can be imidated by N-fluorobenzenesulfonimide. A dramatic ligand-accelerated copper catalysis and an interesting kinetic profile were uncovered.

  16. IONIC CONDUCTIVITY IN THE COMPLEXES OF COMB-SHAPED POLYETHER WITH LITHIUM AROMATIC SULFONATE

    Institute of Scientific and Technical Information of China (English)

    ZHANG Shengshui; QIU Weihua; XUE Dacui; LIU Qingguo

    1993-01-01

    Complexes of comb-shaped polyether and lithium aromatic sulfonates bearing different negative charge number were prepared by in situ thermal polymerization. Their conductivity depends deeply on salt content, ambient temperature and negative charge number of the added salts. Results show that anions can be partly immobilized by increasing their negative charges at lower temperature.Against discharge time the short circuit current of the battery (Li/complex film/Lix V3O8) is stabilized by increasing the anionic charge number of the complex.

  17. A Novel Approach in Cinnamic Acid Synthesis: Direct Synthesis of Cinnamic Acids from Aromatic Aldehydes and Aliphatic Carboxylic Acids in the Presence of Boron Tribromide

    OpenAIRE

    Onciu, M.; Tanasa, F.; C. Chiriac

    2005-01-01

    Cinnamic acids have been prepared in moderate to high yields by a new direct synthesis using aromatic aldehydes and aliphatic carboxylic acids, in the presence of boron tribromide as reagent, 4-dimethylaminopyridine (4-DMAP) and pyridine (Py) as bases and N-methyl-2-pyrolidinone (NMP) as solvent, at reflux (180-190°C) for 8-12 hours.

  18. Extraction of aromatics from naphtha with ionic liquids

    NARCIS (Netherlands)

    Meindersma, G.W.

    2005-01-01

    The objective of this study was the development of a separation technology for the selective recovery and purification of aromatic compounds benzene, toluene, ethylbenzene and xylenes (BTEX) from liquid ethylene cracker feeds. Most ethylene cracker feeds contain 10 ¿ 25% of aromatic components,

  19. Bis-perfluoroalkylation of aromatic compounds with sodium perfluoroalkanesulfinates

    Institute of Scientific and Technical Information of China (English)

    LIU, Jin-Tao(刘金涛); LU, He-Jun(吕贺军)

    2000-01-01

    Bis-perfluoroalkylation of aromatic compounds such as dimethoxybenzenes (2,4,6), anisole (8), pyridine (10) and quinoline (13) was accomplished by reaction with excess sodium perfluoroalkanesulfinates, RFSO2Na (1), in the presence of Mn(OAc)3·2H2O under mild conditions. The reaction provides a facile method for the synthesis of bis-perfluoroalkylated aromatic compounds.

  20. Products Distribution of Meta-Oriented Aromatic Polyamide Needs Improvement

    Institute of Scientific and Technical Information of China (English)

    Sun Maojian

    2007-01-01

    @@ Capacity holding the second place in the world Metaoriented aromatic polya-mide fiber was first developed by DuPont of the United States. Commercial production began in the late 1960s.Today the world's capacity to produce meta-oriented aromatic polyamide fiber is 28 150t/a, and DuPont holds a 78% market share.

  1. magnetooptical phenomena in microcrystal suspensions of deuterated aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Spartakov, A.A.; Tolstoi, N.A. [St. Petersburg State Univ., Peterhof (Russian Federation)

    1995-11-01

    Magnetooptical studies of microcrystal suspensions of aromatic molecules containing polycondensed benzene rings with deuterium atoms substituted for hydrogen atoms showed that the new type of magnetism (aromagnetism) that was found in microcrystals of usual (undeuterated) aromatic compounds cannot be explained by the magnetic ordering of nuclear spins in these microcrystals. 4 refs., 1 fig.

  2. Anaerobic catabolism of aromatic compounds: a genetic and genomic view.

    Science.gov (United States)

    Carmona, Manuel; Zamarro, María Teresa; Blázquez, Blas; Durante-Rodríguez, Gonzalo; Juárez, Javier F; Valderrama, J Andrés; Barragán, María J L; García, José Luis; Díaz, Eduardo

    2009-03-01

    Aromatic compounds belong to one of the most widely distributed classes of organic compounds in nature, and a significant number of xenobiotics belong to this family of compounds. Since many habitats containing large amounts of aromatic compounds are often anoxic, the anaerobic catabolism of aromatic compounds by microorganisms becomes crucial in biogeochemical cycles and in the sustainable development of the biosphere. The mineralization of aromatic compounds by facultative or obligate anaerobic bacteria can be coupled to anaerobic respiration with a variety of electron acceptors as well as to fermentation and anoxygenic photosynthesis. Since the redox potential of the electron-accepting system dictates the degradative strategy, there is wide biochemical diversity among anaerobic aromatic degraders. However, the genetic determinants of all these processes and the mechanisms involved in their regulation are much less studied. This review focuses on the recent findings that standard molecular biology approaches together with new high-throughput technologies (e.g., genome sequencing, transcriptomics, proteomics, and metagenomics) have provided regarding the genetics, regulation, ecophysiology, and evolution of anaerobic aromatic degradation pathways. These studies revealed that the anaerobic catabolism of aromatic compounds is more diverse and widespread than previously thought, and the complex metabolic and stress programs associated with the use of aromatic compounds under anaerobic conditions are starting to be unraveled. Anaerobic biotransformation processes based on unprecedented enzymes and pathways with novel metabolic capabilities, as well as the design of novel regulatory circuits and catabolic networks of great biotechnological potential in synthetic biology, are now feasible to approach.

  3. Metal Triflates for the Production of Aromatics from Lignin

    NARCIS (Netherlands)

    Deuss, Peter J.; Lahive, Ciaran W.; Lancefield, Christopher S.; Westwood, Nicholas J.; Kamer, Paul C. J.; Barta, Katalin; de Vries, Johannes G.

    2016-01-01

    The depolymerization of lignin into valuable aromatic chemicals is one of the key goals towards establishing economically viable biorefineries. In this contribution we present a simple approach for converting lignin to aromatic monomers in high yields under mild reaction conditions. The methodology

  4. C-Nucleosides Derived from Simple Aromatic Hydrocarbons.

    Science.gov (United States)

    Chaudhuri, Narayan C; Ren, Rex X-F; Kool, Eric T

    1997-04-01

    We describe the synthesis, structure and DNA incorporation of a class of novel aromatic C-deoxynucleosides in which benzenes and larger polycyclic aromatics serve as DNA base analogs. Novel approaches have been developed for glycosidic bond formation and for epimenzation of the anomeric substitutents to β-configuration, and we describe some of the properties of such compounds in DNA.

  5. High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

    KAUST Repository

    González-Gaya, Belén

    2016-05-16

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

  6. High atmosphere-ocean exchange of semivolatile aromatic hydrocarbons

    Science.gov (United States)

    González-Gaya, Belén; Fernández-Pinos, María-Carmen; Morales, Laura; Méjanelle, Laurence; Abad, Esteban; Piña, Benjamin; Duarte, Carlos M.; Jiménez, Begoña; Dachs, Jordi

    2016-06-01

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 102-103 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr-1, around 15% of the oceanic CO2 uptake.

  7. Proximate Composition, Mineral Content and Fatty Acids Analyses of Aromatic and Non-Aromatic Indian Rice

    Directory of Open Access Journals (Sweden)

    Deepak Kumar Verma

    2017-01-01

    Full Text Available Awareness on nutritive value and health benefits of rice is of vital importance in order to increase the consumption of rice in daily diet of the human beings. In this study, a total of six aromatic and two non-aromatic rice accessions grown in India were analysed for their nutritional quality attributes including proximate composition, mineral contents and fatty acids. Data with three replications were used to measure Pearson's simple correlation co-efficient in order to establish the relationship among various nutritional quality attributes. The result on proximate composition showed that Govind Bhog had the highest moisture (13.57% and fat (0.92% content, which signifies its tasty attribute. Badshah Bhog exhibited the highest fibre content (0.85%, carbohydrate content (82.70% and food energy (365.23 kCal per 100 g. Among the minerals, the higher Ca (98.75 mg/kg, Zn (17.00 mg/kg and Fe (31.50 mg/kg were in Gopal Bhog, whereas the highest Na (68.85 mg/kg was in Badshah Bhog, the highest K (500.00 mg/kg was in Swetganga, Khushboo and Sarbati. The highest contents of unsaturated fatty acids viz. oleic acid (49.14%, linoleic acid (46.99% and linolenic acid (1.27% were found in Sarbati, whereas the highest content of saturated fatty acids viz. myristic acid (4.60% and palmitic acid (31.91% were found in Govind Bhog and stearic acid (6.47% in Todal. The identified aromatic rice accessions Gopal Bhog, Govind Bhog and Badshah Bhog and non-aromatic rice accession Sarbati were found nutritionally superior among all eight tested accessions. The nutritional quality oriented attributes in this study were competent with recognized prominent aromatic and non-aromatic rice accessions as an index of their nutritional worth and recommend to farmers and consumers which may be graded as export quality rice with good unique nutritional values in international market.

  8. Neutral Diboron Analogues of Archetypal Aromatic Species by Spontaneous Cycloaddition.

    Science.gov (United States)

    Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Celik, Mehmet Ali; Claes, Christina; Ewing, William C; Krummenacher, Ivo; Lubitz, Katharina; Schneider, Christoph

    2016-09-05

    Among the numerous routes organic chemists have developed to synthesize benzene derivatives and heteroaromatic compounds, transition-metal-catalyzed cycloaddition reactions are the most elegant. In contrast, cycloaddition reactions of heavier alkene and alkyne analogues, though limited in scope, proceed uncatalyzed. In this work we present the first spontaneous cycloaddition reactions of lighter alkene and alkyne analogues. Selective addition of unactivated alkynes to boron-boron multiple bonds under ambient conditions yielded diborocarbon equivalents of simple aromatic hydrocarbons, including the first neutral 6 π-aromatic diborabenzene compound, a 2 π-aromatic triplet biradical 1,3-diborete, and a phosphine-stabilized 2 π-homoaromatic 1,3-dihydro-1,3-diborete. DFT calculations suggest that all three compounds are aromatic and show frontier molecular orbitals matching those of the related aromatic hydrocarbons, C6 H6 and C4 H4 (2+) , and homoaromatic C4 H5 (+) .

  9. Solution preparation

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, M.G.

    1982-01-01

    Reviewed in this statement are methods of preparing solutions to be used in laboratory experiments to examine technical issues related to the safe disposal of nuclear waste from power generation. Each approach currently used to prepare solutions has advantages and any one approach may be preferred over the others in particular situations, depending upon the goals of the experimental program. These advantages are highlighted herein for three approaches to solution preparation that are currently used most in studies of nuclear waste disposal. Discussion of the disadvantages of each approach is presented to help a user select a preparation method for his particular studies. Also presented in this statement are general observations regarding solution preparation. These observations are used as examples of the types of concerns that need to be addressed regarding solution preparation. As shown by these examples, prior to experimentation or chemical analyses, laboratory techniques based on scientific knowledge of solutions can be applied to solutions, often resulting in great improvement in the usefulness of results.

  10. Preparation Method of Stalk Environmental Biomaterial and Its Sorption Ability for Polycyclic Aromatic Hydrocarbons in Water%秸秆生物质环境材料的制备及对水中多环芳烃的处理性能

    Institute of Scientific and Technical Information of China (English)

    何娇; 孔火良; 韩进; 高彦征

    2011-01-01

    300~700℃下热解炭化黄豆、芝麻、玉米秸秆8h,制备了秸秆生物质环境材料,测定了秸秆生物质环境材料的BET比表面积及其对亚甲基蓝和碘的吸附能力.以多环芳烃(PAHs)为目标污染物,探讨了生物质环境材料对水中单一和复合PAHs的吸附性能.结果表明,随热解温度升高,秸秆生物质环境材料比表面积增大,其对亚甲基蓝、碘的吸附能力增强.所制备的生物质环境材料吸附水中PAHs的能力强,以700℃下制备的黄豆秸秆生物质环境材料为例,0.01 g材料对32 mL水中萘、苊、菲的去除率分别高达91.28%、89.01%和99.66%;生物质环境材料对水中3种PAHs的去除率大小顺序为菲>萘>苊.不同秸秆制备的生物质环境材料对水中萘和苊的去除能力大小为玉米>黄豆>芝麻,而对菲的去除能力则为黄豆>玉米>芝麻.研究结果可为农作物秸秆的资源化利用、制备经济高效的生物质环境材料等提供依据.%The soybean, sesame and corn stalks were pyrolyzed and charred for 8 h at 300-700℃ to obtain stalk environmental biomaterials. The BET specific surface areas, methylene blue, and iodine adsorption capacity of the stalk environmental biomaterials were determined. The sorption efficiency of these materials on single polycyclic aromatic hydrocarbon(PAH) and mixing PAHs were investigated. The BET specific surface areas of stalk biomaterials enlarged, and the sorption ability on methylene blue and iodine enhanced with increasing the treatment temperature. The obtained stalk biomaterials could effectively remove the PAHs from water. For instance, 91.28%, 89.01% and 99.66% of naphthalene, aeenaphthene, and phenanthrene in 32 mL water were removed by 0.01 g biomaterials obtained by soybean stalk at 700℃. The removal efficiencies of biomaterials for mixed PAHs in water were in the order of phenanthrene > naphthalene > acenaphthene. However, the sorption ability of produced stalk

  11. Pro-aromatic and anti-aromatic π-conjugated molecules: an irresistible wish to be diradicals

    KAUST Repository

    Zeng, Zebing

    2015-01-01

    © 2015 The Royal Society of Chemistry. Aromaticity is an important concept to understand the stability and physical properties of π-conjugated molecules. Recent studies on pro-aromatic and anti-aromatic molecules revealed their irresistible tendency to become diradicals in the ground state. Diradical character thus becomes another very important concept and it is fundamentally correlated to the physical (optical, electronic and magnetic) properties and chemical reactivity of most of the organic optoelectronic materials. Molecules with distinctive diradical character show unique properties which are very different from those of traditional closed-shell π-conjugated systems, and thus they have many potential applications in organic electronics, spintronics, non-linear optics and energy storage. This critical review first introduces the fundamental electronic structure of Kekulé diradicals within the concepts of anti-aromaticity and pro-aromaticity in the context of Hückel aromaticity and diradical character. Then recent research studies on various stable/persistent diradicaloids based on pro-aromatic and anti-aromatic compounds are summarized and discussed with regard to their synthetic chemistry, physical properties, structure-property relationships and potential material applications. A summary and personal perspective is given at the end.

  12. Synchronized aromaticity as an enthalpic driving force for the aromatic Cope rearrangement.

    Science.gov (United States)

    Babinski, David J; Bao, Xiaoguang; El Arba, Marie; Chen, Bo; Hrovat, David A; Borden, Weston Thatcher; Frantz, Doug E

    2012-10-03

    We report herein experimental and theoretical evidence for an aromatic Cope rearrangement. Along with several successful examples, our data include the first isolation and full characterization of the putative intermediate that is formed immediately after the initial [3,3] sigmatropic rearrangement. Calculations at the B3LYP/6-31G(d) level of theory predict reaction energy barriers in the range 22-23 kcal/mol for the [3,3]-rearrangement consistent with the exceptionally mild reaction conditions for these reactions. The experimental and computational results support a significant enthalpic contribution of the concomitant pyrazole ring formation that serves as both a kinetic and thermodynamic driving force for the aromatic Cope rearrangement.

  13. Photochemically induced oscillations of aromatic pentazadienes

    Energy Technology Data Exchange (ETDEWEB)

    Kunz, T.; Hahn, C.; Wokaun, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Aromatic pentazadienes are used to enhance the laser induced ablation of standard polymers with low absorption in the UV. Therefore the photochemistry of substituted 1,5-diaryl-3-alkyl-1,4-pentazadiene monomers was studied with a pulsed excimer laser as irradiation source. The net photochemical reaction proceeds in an overall one-step pathway A{yields}B. Quantum yields for the laser decomposition were determined to be up to 10%. An oscillating behaviour of the absorption was found during the dark period following the irradiation. The temperature dependence of this dark reaction has been studied. An attempt to model this behaviour in terms of a non-linear coupling between heat released, heat transfer, and reaction kinetics will be described. (author) 4 figs., 4 refs.

  14. Structural Evolution of Interstellar Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Hammonds, Mark; Candian, Alessandra; Mori, Tamami; Usui, Fumihiko; Onaka, Takashi

    2015-08-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are an important reservoir for molecular carbon in the interstellar medium (ISM), and investigations into their chemistry and behaviour may be important to the understanding of how carbon is processed from simple forms into complex prebiotic molecules such as those detected in chondritic meteorites. In this study, infrared astronomical data from AKARI and other observatories are used together with laboratory and theoretical data to study variations in the structure of emitting PAHs in interstellar environments using spectroscopic decomposition techniques and bands arising from carbon-hydrogen bond vibrations at wavelengths from 3 - 14 microns. Results and inferences are discussed in terms of the processing of large carbonaceous molecules in astrophysical environments.

  15. The biodegradation vs. biotransformation of fluorosubstituted aromatics.

    Science.gov (United States)

    Kiel, Martina; Engesser, Karl-Heinrich

    2015-09-01

    Fluoroaromatics are widely and--in recent years--increasingly used as agrochemicals, starting materials for chemical syntheses and especially pharmaceuticals. This originates from the special properties the carbon-fluorine bond is imposing on organic molecules. Hence, fluoro-substituted compounds more and more are considered to be important potential environmental contaminants. On the other hand, the microbial potentials for their transformation and mineralization have received less attention in comparison to other haloaromatics. Due to the high electronegativity of the fluorine atom, its small size, and the extraordinary strength of the C-F bond, enzymes and mechanisms known to facilitate the degradation of chloro- or bromoarenes are not necessarily equally active with fluoroaromatics. Here, we review the literature on the microbial degradation of ring and side-chain fluorinated aromatic compounds under aerobic and anaerobic conditions, with particular emphasis being placed on the mechanisms of defluorination reactions.

  16. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Nkansah, Marian Asantewah

    2012-11-15

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refining process can also result in the release of PAHs. It is therefore prudent that such effluents are treated before discharge into the environment. In this project, different approaches to the treatment of PAHs have been investigated. Hydrous pyrolysis has been explored as a potential technique for degrading PAHs in water using anthracene as a model compound. The experiments were performed under different conditions of temperature, substrate, redox systems and durations. The conditions include oxidising systems comprising pure water, hydrogen peroxide and Nafion-SiO2 solid catalyst in water; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts to assess a range of reactivities. Products observed in GCMS analysis of the extract from the water phase include anthrone, anthraquinone, xanthone and multiple hydro-anthracene derivatives (Paper I). In addition a modified version of the Nafion-SiO2 solid catalyst in water oxidising system was tested; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts were adopted for the conversion of a mixture of anthracene, fluorene and fluoranthene. The rate of conversion in the mixture was high as compared to that of only anthracene (Paper II). Also the use of LECA (Lightweight expanded clay aggregates) as an adsorbent (Paper III) for PAHs (phenanthrene, fluoranthene and pyrene) removal from water has been.(Author)

  17. Enzyme catalytic nitration of aromatic compounds.

    Science.gov (United States)

    Kong, Mingming; Wang, Kun; Dong, Runan; Gao, Haijun

    2015-06-01

    Nitroaromatic compounds are important intermediates in organic synthesis. The classic method used to synthesize them is chemical nitration, which involves the use of nitric acid diluted in water or acetic acid, both harmful to the environment. With the development of green chemistry, environmental friendly enzyme catalysis is increasingly employed in chemical processes. In this work, we adopted a non-aqueous horseradish peroxidase (HRP)/NaNO2/H2O2 reaction system to study the structural characteristics of aromatic compounds potentially nitrated by enzyme catalysis, as well as the relationship between the charges on carbon atoms in benzene ring and the nitro product distribution. Investigation of various reaction parameters showed that mild reaction conditions (ambient temperature and neutral pH), plus appropriate use of H2O2 and NaNO2 could prevent inactivation of HRP and polymerization of the substrates. Compared to aqueous-organic co-solvent reaction media, the aqueous-organic two-liquid phase system had great advantages in increasing the dissolved concentration of substrate and alleviating substrate inhibition. Analysis of the aromatic compounds' structural characteristics indicated that substrates containing substituents of NH2 or OH were readily catalyzed. Furthermore, analysis of the relationship between natural bond orbital (NBO) charges on carbon atoms in benzene ring, as calculated by the density functional method, and the nitro product distribution characteristics, demonstrated that the favored nitration sites were the ortho and para positions of substituents in benzene ring, similar to the selectivity of chemical nitration. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. Inhibitory effects of polycyclic aromatic hydrocarbons (PAHs) on photosynthetic performance are not related to their aromaticity.

    Science.gov (United States)

    Jajoo, Anjana; Mekala, Nageswara Rao; Tomar, Rupal Singh; Grieco, Michele; Tikkanen, Mikko; Aro, Eva-Mari

    2014-08-01

    Polycyclic aromatic hydrocarbons (PAHs) are very toxic and highly persistent environmental pollutants which accumulate in soil and affect growth of the plants adversely. This study aims to investigate inhibitory effects of 3 major PAH particularly on photosynthetic processes in Arabidopsis thaliana grown in soil treated with PAH. The 3 PAH chosen differ from each other in aromaticity (number of rings) comprising their structure (2 rings: naphthalene, 3 rings: anthracene and 4 rings: pyrene). Several growth parameters and Chlorophyll a fluorescence was monitored in PAH treated plants. BN-PAGe analysis was done in order to get information about change in the protein conformation. PAH treatment led to increased value of Fo which collaborated with increase in the amount of free LHC as seen through BN-Page analysis. Thus PAH were found to inhibit PS II photochemistry and caused distinct change in pigment composition. However the results led us to infer that 3-ring anthracence is more inhibitory as compared to 2-ring naphthalene and 4-ring pyrene. This indicates that aromaticity of PAH is unrelated to their response on photosynthetic processes.

  19. Exploring aromatic chemical space with NEAT: novel and electronically equivalent aromatic template.

    Science.gov (United States)

    Tu, Meihua; Rai, Brajesh K; Mathiowetz, Alan M; Didiuk, Mary; Pfefferkorn, Jeffrey A; Guzman-Perez, Angel; Benbow, John; Guimarães, Cristiano R W; Mente, Scot; Hayward, Matthew M; Liras, Spiros

    2012-05-25

    In this paper, we describe a lead transformation tool, NEAT (Novel and Electronically equivalent Aromatic Template), which can help identify novel aromatic rings that are estimated to have similar electrostatic potentials, dipoles, and hydrogen bonding capabilities to a query template; hence, they may offer similar bioactivity profiles. In this work, we built a comprehensive heteroaryl database, and precalculated high-level quantum mechanical (QM) properties, including electrostatic potential charges, hydrogen bonding ability, dipole moments, chemical reactivity, and othe properties. NEAT bioisosteric similarities are based on the electrostatic potential surface calculated by Brood, using the precalculated QM ESP charges and other QM properties. Compared with existing commercial lead transformation software, (1) NEAT is the only one that covers the comprehensive heteroaryl chemical space, and (2) NEAT offers a better characterization of novel aryl cores by using high-evel QM properties that are relevant to molecular interactions. NEAT provides unique value to medicinal chemists quickly exploring the largely uncharted aromatic chemical space, and one successful example of its application is discussed herein.

  20. Determination of polycyclic aromatic hydrocarbons by four-way parallel factor analysis in presence of humic acid

    Science.gov (United States)

    Yang, Ruifang; Zhao, Nanjing; Xiao, Xue; Yu, Shaohui; Liu, Jianguo; Liu, Wenqing

    2016-01-01

    There is not effective method to solve the quenching effect of quencher in fluorescence spectra measurement and recognition of polycyclic aromatic hydrocarbons in aquatic environment. In this work, a four-way dataset combined with four-way parallel factor analysis is used to identify and quantify polycyclic aromatic hydrocarbons in the presence of humic acid, a fluorescent quencher and an ubiquitous substance in aquatic system, through modeling the quenching effect of humic acid by decomposing the four-way dataset into four loading matrices corresponding to relative concentration, excitation spectra, emission spectra and fluorescence quantum yield, respectively. It is found that Phenanthrene, pyrene, anthracene and fluorene can be recognized simultaneously with the similarities all above 0.980 between resolved spectra and reference spectra. Moreover, the concentrations of them ranging from 0 to 8 μg L-1 in the test samples prepared with river water could also be predicted successfully with recovery rate of each polycyclic aromatic hydrocarbon between 100% and 120%, which were higher than those of three-way PARAFAC. These results demonstrate that the combination of four-way dataset with four-way parallel factor analysis could be a promising method to recognize the fluorescence spectra of polycyclic aromatic hydrocarbons in the presence of fluorescent quencher from both qualitative and quantitative perspective.

  1. Solvent-free functionalization of fullerene C60 and pristine multi-walled carbon nanotubes with aromatic amines

    Science.gov (United States)

    Ramírez-Calera, Itzel J.; Meza-Laguna, Victor; Gromovoy, Taras Yu.; Chávez-Uribe, Ma. Isabel; Basiuk, Vladimir A.; Basiuk, Elena V.

    2015-02-01

    We employed a direct one-step solvent-free covalent functionalization of solid fullerene C60 and pristine multi-walled carbon nanotubes (MWCNTs) with aromatic amines 1-aminopyrene (AP), 2-aminofluorene (AF) and 1,5-diaminonaphthalene (DAN). The reactions were carried out under moderate vacuum, in a wide temperature range of 180-250 °C, during relatively short time of about 2 h. To confirm successful amine attachment, a large number of analytical techniques were used (depending on the nanomaterial functionalized) such as Fourier transform infrared, Raman, X-ray photoelectron, 13C cross-polarization magic angle spinning NMR spectroscopy, thermogravimetric analysis, laser-desorption ionization time-of-flight mass spectrometry, temperature-programmed desorption with mass spectrometric detection, as well as scanning and transmission electron microscopy. The nucleophilic addition of the aromatic amines to C60 molecule was studied theoretically by using density functional theory (PBE GGA functional with Grimme dispersion correction in conjunction with the DNP basis set). In the case of crystalline C60, the solvent-free technique has a limited applicability due to poor diffusion of vaporous aromatic amines into the bulk. Nevertheless, the approach proposed allows for a facile preparation of aromatic amine-functionalized pristine MWCNTs without contamination with other chemical reagents, detergents and solvents, which is especially important for a vast variety of nanotube applications spanning from nanoelectronics to nanomedicine.

  2. Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen Bonded Co-Assembly of Aromatic Amino Acids.

    Science.gov (United States)

    Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli

    2017-04-03

    Rational engineering of one-dimensional (1D) self-assembled aggregates to produce desired materials for versatile functions remains a challenge. In this work, we report the noncovalent modulation of 1D aggregates at micro/nanoscale using a co-assembly protocol. Aromatic amino acids were employed as the model building blocks, and melamine (Mm) behaves as a modulator to form co-assembly arrays with aromatic amino acids selectively. The selective self-assembly behavior between aromatic amino acids and Mm allows distinguishing and detecting Mm and aromatic amino acids from their analogues in macroscopic and microscopic scales. Dimensions and sizes of fibrous aggregates prepared from different amino acids show two opposite pathways from pristine assemblies to co-assemblies induced by the addition of Mm. This pathway complexity could be controlled by the molecular conformation determined by α-positioned substituents. The developed hypothesis presents an excellent expansibility to other substrates, which may guide us to rationally design and screen 1D materials with different dimensions and sizes including the production of high-quality self-standing hydrogels.

  3. The future role of aromatics in refining and petrochemistry. Proceedings of the DGMK-Conference (Authors' manuscripts)

    Energy Technology Data Exchange (ETDEWEB)

    Emig, G.; Rupp, M.; Weitkamp, J. [eds.

    1999-07-01

    Topic of this conference has been the furure role of aromatics in the refinign industry. The articles deal with the following topics: Refining; legal aspects in the aromatics market; transportation fuels; dearomatization; catalytic reforming and aromatics; separation processes for aromatics; oxidation and ammoxidation of aromatics; electrophilic substitution of aromatics; hydrogenation of benzene; zeolites. (orig./sr)

  4. Reduction of Aromatic Nitro Compounds under Solvent-free Condition Using Almnina-suppored Hydrazine/Fe2 (NO3)3· 9H2O

    Institute of Scientific and Technical Information of China (English)

    WANG Yu-Lu; ZHANG Chang-Rui

    2003-01-01

    @@ The application of microwave techniques for chemical synthesis has attracted considerable interest in recent years because of their enhanced selectivity, reduced reaction time, easier work-up procedure. Aromatic amines are widely used as intermediate for dyes, photographic materials, pharmaceutical and agricultural chemicals and as antioxidants. So, particularly intense interest has been directed toward the synthesis of these compounds. Reduction of aromatic nitro compounds is one of the important routes to prepare them. Generally, the processes have been carried out in solvent. [ 1 ~ 6] The drawback of these methods is long reaction time.

  5. Pi-Pi STACKING OF THE AROMATIC GROUPS IN LIGNOSULFONATES

    Directory of Open Access Journals (Sweden)

    Yonghong Deng,

    2012-01-01

    Full Text Available Sodium lignosulfonate (SL fractions with narrow molecular weight distribution and known salt content were used to investigate – stacking of the aromatic groups in SL. Results show that the charge-free aromatic groups of SL tend to form oriented – stacking with the spectroscopic characteristics of J–aggregates. The formation of J–aggregates in SL are recognized by a significant spectral red shift in fluorescent excitation spectra. The other effects that may cause spectral shift, such as the SL species, solvent effect, and the impurities, are investigated to confirm that the formation of J-aggregates is the only viable explanation for the significant spectral redshift of SL. Salt causes molecular shrinkage of SL polyelectrolytes, but has no influence on J–aggregates of the aromatic groups as detected by lack of spectral shift, indicating that the aromatic groups are charge-free. This suggests that not all the aromatic groups but only the charge-free aromatic groups can form – stacking. This work demonstrates the presence of J–aggregation in aqueous SL solutions for the first time, which gives an insight in understanding the preferred orientation of the aromatic groups in lignin-based biopolymers.

  6. Epoxy Coenzyme A Thioester pathways for degradation of aromatic compounds.

    Science.gov (United States)

    Ismail, Wael; Gescher, Johannes

    2012-08-01

    Aromatic compounds (biogenic and anthropogenic) are abundant in the biosphere. Some of them are well-known environmental pollutants. Although the aromatic nucleus is relatively recalcitrant, microorganisms have developed various catabolic routes that enable complete biodegradation of aromatic compounds. The adopted degradation pathways depend on the availability of oxygen. Under oxic conditions, microorganisms utilize oxygen as a cosubstrate to activate and cleave the aromatic ring. In contrast, under anoxic conditions, the aromatic compounds are transformed to coenzyme A (CoA) thioesters followed by energy-consuming reduction of the ring. Eventually, the dearomatized ring is opened via a hydrolytic mechanism. Recently, novel catabolic pathways for the aerobic degradation of aromatic compounds were elucidated that differ significantly from the established catabolic routes. The new pathways were investigated in detail for the aerobic bacterial degradation of benzoate and phenylacetate. In both cases, the pathway is initiated by transforming the substrate to a CoA thioester and all the intermediates are bound by CoA. The subsequent reactions involve epoxidation of the aromatic ring followed by hydrolytic ring cleavage. Here we discuss the novel pathways, with a particular focus on their unique features and occurrence as well as ecological significance.

  7. Structure-Activity Relationships in Nitro-Aromatic Compounds

    Science.gov (United States)

    Vogt, R. A.; Rahman, S.; Crespo-Hernández, C. E.

    Many nitro-aromatic compounds show mutagenic and carcinogenic properties, posing a potential human health risk. Despite this potential health hazard, nitro-aromatic compounds continue to be emitted into ambient air from municipal incinerators, motor vehicles, and industrial power plants. As a result, understanding the structural and electronic factors that influence mutagenicity in nitro-aromatic compounds has been a long standing objective. Progress toward this goal has accelerated over the years, in large part due to the synergistic efforts among toxicology, computational chemistry, and statistical modeling of toxicological data. The concerted influence of several structural and electronic factors in nitro-aromatic compounds makes the development of structure-activity relationships (SARs) a paramount challenge. Mathematical models that include a regression analysis show promise in predicting the mutagenic activity of nitro-aromatic compounds as well as in prioritizing compounds for which experimental data should be pursued. A major challenge of the structure-activity models developed thus far is their failure to apply beyond a subset of nitro-aromatic compounds. Most quantitative structure-activity relationship papers point to statistics as the most important confirmation of the validity of a model. However, the experimental evidence shows the importance of the chemical knowledge in the process of generating models with reasonable applicability. This chapter will concisely summarize the structural and electronic factors that influence the mutagenicity in nitro-aromatic compounds and the recent efforts to use quantitative structure-activity relationships to predict those physicochemical properties.

  8. How non-conventional feedstocks will affect aromatics technologies

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, E. [Clariant Produkte (Deutschland) GmbH, Muenchen (Germany)

    2013-11-01

    The abundance of non-conventional feedstocks such as coal and shale gas has begun to affect the availability of traditional base chemicals such as propylene and BTX aromatics. Although this trend is primarily fueled by the fast growing shale gas economy in the US and the abundance of coal in China, it will cause the global supply and demand situation to equilibrate across the regions. Lower demand for gasoline and consequently less aromatics rich reformate from refineries will further tighten the aromatics markets that are expected to grow at healthy rates, however. Refiners can benefit from this trend by abandoning their traditional fuel-oriented business model and becoming producers of petrochemical intermediates, with special focus on paraxylene (PX). Cheap gas from coal (via gasification) or shale reserves is an advantaged feedstock that offers a great platform to make aromatics in a cost-competitive manner, especially in regions where naphtha is in short supply. Gas condensates (LPG and naphtha) are good feedstocks for paraffin aromatization, and methanol from coal or (shale) gas can be directly converted to BTX aromatics (MTA) or alkylated with benzene or toluene to make paraxylene. Most of today's technologies for the production and upgrading of BTX aromatics and their derivatives make use of the unique properties of zeolites. (orig.)

  9. Cyclopropyl Group: An Excited-State Aromaticity Indicator?

    Science.gov (United States)

    Ayub, Rabia; Papadakis, Raffaello; Jorner, Kjell; Zietz, Burkhard; Ottosson, Henrik

    2017-07-06

    The cyclopropyl (cPr) group, which is a well-known probe for detecting radical character at atoms to which it is connected, is tested as an indicator for aromaticity in the first ππ* triplet and singlet excited states (T1 and S1 ). Baird's rule says that the π-electron counts for aromaticity and antiaromaticity in the T1 and S1 states are opposite to Hückel's rule in the ground state (S0 ). Our hypothesis is that the cPr group, as a result of Baird's rule, will remain closed when attached to an excited-state aromatic ring, enabling it to be used as an indicator to distinguish excited-state aromatic rings from excited-state antiaromatic and nonaromatic rings. Quantum chemical calculations and photoreactivity experiments support our hypothesis; calculated aromaticity indices reveal that openings of cPr substituents on [4n]annulenes ruin the excited-state aromaticity in energetically unfavorable processes. Yet, polycyclic compounds influenced by excited-state aromaticity (e.g., biphenylene), as well as 4nπ-electron heterocycles with two or more heteroatoms represent limitations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Resolution of water in crude oil emulsion by some novel aromatic amine polyesters

    Directory of Open Access Journals (Sweden)

    A.M. Al-Sabagh

    2015-09-01

    Full Text Available In this work, three aromatic amines (p-toluidine, p-nitroaniline and p-chloroaniline were chosen as bases for the repatriation of some nonionic polyesters. These amines were ethoxylated with different total number of ethylene oxide units 6, 12, 18. The prepared ethoxylated amine diols were polyesterified with maleic anhydride and polypropylene oxide polyethylene oxide block copolymers in polyesterification reaction. The demulsification efficiency of these demulsifiers was investigated using the bottle test. The effects of the molecular weight, concentration, asphaltene content, water content, Hydrophile Lipophile Balance (HLB and temperature on the demulsification efficiency were investigated. The surface active properties were correlated with their demulsification efficiency. It was found that, NAE18D gave the best result in the demulsification process. The demulsification efficiency was discussed on the light of surface active properties, interfacial tension and the factors affecting the demulsification. The surface-active properties of the prepared demulsifiers were measured at 60 °C.

  11. One-Step Preparation of Nano-Hierarchical Pore MOR Zeolites and Its Application in the Conversion of Heavy Aromatic Hydrocarbons%纳米梯级孔MOR分子筛的一步制备及其在重芳烃转化中的应用

    Institute of Scientific and Technical Information of China (English)

    马文慧; 张铁珍; 杨昆; 侯凯湖

    2015-01-01

    Basedon the preparation of nano-MOR zeolites firstly, nano-hierarchical pore MOR zeolites were obtained by the one-step hydrothermal crystallization method with cetyl trimethyl ammonium bromide (CTAB) as a mesoporous template. The effects of the preparation conditions on the particle size and pore structure of the MOR zeolites were examined, and the catalytic performance of Pt/MOR zeolite catalysts for cumene hydrodealkylation was also examined. The results showed that the MOR zeolites with particle size of about 30.0 nm were obtained under the conditions of crystallization temperature 130℃, crystallization time 48 h, molar ratio of H2O to Si 18, molar ratio of NaOH to Si 0.36 and rotating speed 20 r/min, and the nano-hierarchical pore MOR zeolites were obtained by introducing suitable amount of CTAB into the synthesis system. Compared with the nano-MOR zeolites, the latter possessed higher mesoporous area, higher mesoporous volume, suitable acid amount and acid strength. The Pt catalyst supported on the nano-hierarchical pore MOR zeolites exhibited excellent hydrodealkylation performance due to the increasing of mesoporous volume and the decreasing of molecular diffusion resistance.%在纳米mordenite(MOR)分子筛的制备基础上,以十六烷基三甲基溴化铵(CTAB)为介孔模板剂,一步水热晶化合成了具有微-介孔结构的纳米梯级孔MOR分子筛,考察了合成条件对MOR分子筛晶粒尺寸和孔结构的影响以及Pt/MOR催化剂催化异丙苯脱烷基的性能.结果表明:在晶化温度130℃,晶化时间48 h,水硅比18,碱硅比0.36和转速20 r/min条件下,制备的MOR分子筛晶粒大小约为30.0 nm;在合成体系中引入适量的CTAB可获得纳米梯级孔MOR分子筛,与纳米MOR分子筛相比,其具有较高的介孔面积和介孔体积以及适宜的酸量与酸强度.以纳米梯级孔MOR分子筛为载体制得的Pt/MOR催化剂显示出优异的加氢脱烷基性能.

  12. Chromatographic selectivity of poly(alkyl methacrylate-co-divinylbenzene) monolithic columns for polar aromatic compounds by pressure-driven capillary liquid chromatography.

    Science.gov (United States)

    Lin, Shu-Ling; Wang, Chih-Chieh; Fuh, Ming-Ren

    2016-10-05

    In this study, divinylbenzene (DVB) was used as the cross-linker to prepare alkyl methacrylate (AlMA) monoliths for incorporating π-π interactions between the aromatic analytes and AlMA-DVB monolithic stationary phases in capillary LC analysis. Various AlMA/DVB ratios were investigated to prepare a series of 30% AlMA-DVB monolithic stationary phases in fused-silica capillaries (250-μm i.d.). The physical properties (such as porosity, permeability, and column efficiency) of the synthesized AlMA-DVB monolithic columns were investigated for characterization. Isocratic elution of phenol derivatives was first employed to evaluate the suitability of the prepared AlMA-DVB columns for small molecule separation. The run-to-run (0.16-1.20%, RSD; n = 3) and column-to-column (0.26-2.95%, RSD; n = 3) repeatabilities on retention times were also examined using the selected AlMA-DVB monolithic columns. The π-π interactions between the aromatic ring and the DVB-based stationary phase offered better recognition on polar analytes with aromatic moieties, which resulted in better separation resolution of aromatic analytes on the AlMA-DVB monolithic columns. In order to demonstrate the capability of potential environmental and/or food safety applications, eight phenylurea herbicides with single benzene ring and seven sulfonamide antibiotics with polyaromatic moieties were analyzed using the selected AlMA-DVB monolithic columns.

  13. Theoretical study of aromaticity in inorganic tetramer clusters

    Indian Academy of Sciences (India)

    Sandeep Nigam; Chiranjib Majumder; S K Kulshreshtha

    2006-11-01

    Ground state geometry and electronic structure of M$^{2-}_{4}$ cluster (M = B, Al, Ga) have been investigated to evaluate their aromatic properties. The calculations are performed by employing the Density Functional Theory (DFT) method. It is found that all these three clusters adopt square planar configuration. Results reveal that square planar M$^{2-}_{4}$ dianion exhibits characteristics of multifold aromaticity with two delocalised -electrons. In spite of the unstable nature of these dianionic clusters in the gas phase, their interaction with the sodium atoms forms very stable dipyramidal M4Na2 complexes while maintaining their square planar structure and aromaticity.

  14. Difluoromethane preparation

    NARCIS (Netherlands)

    Wiersma, A.; Sandt, E.J.A.; Van Bekkum, H.; Makkee, M.; Moulijn, J.A.

    1996-01-01

    Abstract of NL 9401574 (A) The invention relates to a method for preparing difluoromethane, wherein dichlorodifluoromethane or monochlorodifluoromethane is brought into contact with hydrogen in the presence of palladium on activated carbon, wherein the loading of the palladium on the activated c

  15. Aromaticity measures from fuzzy-atom bond orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes.

    Science.gov (United States)

    Matito, Eduard; Salvador, Pedro; Duran, Miquel; Solà, Miquel

    2006-04-20

    In the past few years, there has been a growing interest for aromaticity measures based on electron density descriptors, the para-delocalization (PDI) and the aromatic fluctuation (FLU) indexes being two recent examples. These aromaticity indexes have been applied successfully to describe the aromaticity of carbon skeleton molecules. Although the results obtained are encouraging, because they follow the trends of other existing aromaticity measures, their calculation is rather expensive because they are based on electron delocalization indexes (DI) that involve cumbersome atomic integrations. However, cheaper electron-sharing indexes (ESIs), which in principle could play the same role as the DI in such aromaticity calculations, can be found in the literature. In this letter we show that PDI and FLU can be calculated using fuzzy-atom bond order (FBO) measures instead of DIs with an important saving of computing time. In addition, a basis-set-dependence study is performed to assess the reliability of these measures. FLU and PDI based on FBO are shown to be both good aromaticity indexes and almost basis-set-independent measures. This result opens up a wide range of possibilities for PDI and FLU to also be calculated on large organic systems. As an example, the DI and FBO-based FLU and PDI indexes have also been calculated and compared for the C60 molecule.

  16. Facile Formation of Redox-Active Totally Organic Nanoparticles in Water by In Situ Reduction of Organic Precursors Stabilized through Aromatic-Aromatic Interactions by Aromatic Polyelectrolytes.

    Science.gov (United States)

    Flores, Mario E; Garcés-Jerez, Pablo; Fernández, Daniel; Aros-Perez, Gustavo; González-Cabrera, Diego; Álvarez, Eduardo; Cañas, Ignacio; Oyarzun-Ampuero, Felipe; Moreno-Villoslada, Ignacio

    2016-11-01

    The formation of redox-active, totally organic nanoparticles in water is achieved following a strategy similar to that used to form metal nanoparticles. It is based on two fundamental concepts: i) complexation through aromatic-aromatic interactions of a water-soluble precursor aromatic molecule with polyelectrolytes bearing complementary charged aromatic rings, and ii) reduction of the precursor molecule to achieve stabilized nanoparticles. Thus, formazan nanoparticles are synthesized by reduction of a tetrazolium salt with ascorbic acid using polyelectrolytes bearing benzene sulfonate residues of high linear aromatic density, but cannot be formed in the presence of nonaromatic polyelectrolytes. The red colored nanoparticles are efficiently encapsulated in calcium alginate beads, showing macroscopic homogeneity. Bleaching kinetics with chlorine show linear rates on the order of tenths of milli-meters per minute. A linear behavior of the dependence of the rate of bleaching on the chlorine concentration is found, showing the potential of the nanoparticles for chlorine sensing. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Ab initio calculation of through-space magnetic shielding of linear polycyclic aromatic hydrocarbons (acenes): extent of aromaticity.

    Science.gov (United States)

    Martin, Ned H; Caldwell, Brian W; Carlson, Katie P; Teague, Matthew R

    2009-02-01

    GIAO-HF within Gaussian 03 was employed to compute the NMR isotropic shielding values of a diatomic hydrogen probe above a series of acenes (linear polycyclic aromatic hydrocarbons). Subtraction of the isotropic shielding of diatomic hydrogen by itself allowed the determination of computed through-space proton NMR shielding increment surfaces for these systems. Shielding was observed above the center of each aromatic ring, but the magnitude of calculated shielding above each ring center depends on the number of fused benzenoid rings. The computed shielding increments above each ring center were correlated to other measures of extent of aromaticity, including geometric, energetic, and magnetic measurements.

  18. Aromatic Plants as a Source of Bioactive Compounds

    Directory of Open Access Journals (Sweden)

    Panagiota Florou-Paneri

    2012-09-01

    Full Text Available Aromatic plants, also known as herbs and spices, have been used since antiquity as folk medicine and as preservatives in foods. The best known aromatic plants, such as oregano, rosemary, sage, anise, basil, etc., originate from the Mediterranean area. They contain many biologically active compounds, mainly polyphenolics, which have been found to possess antimicrobial, antioxidant, antiparasitic, antiprotozoal, antifungal, and anti-inflammatory properties. Currently, the demand for these plants and their derivatives has increased because they are natural, eco-friendly and generally recognized as safe products. Therefore, aromatic plants and their extracts have the potential to become new generation substances for human and animal nutrition and health. The purpose of this review is to provide an overview of the literature surrounding the in vivo and in vitro use of aromatic plants.

  19. Application of aromatization catalyst in synthesis of carbon nanotubes

    Indian Academy of Sciences (India)

    Song Rongjun; Yang Yunpeng; Ji Qing; Li Bin

    2012-02-01

    In a typical chemical vapour deposition (CVD) process for synthesizing carbon nanotubes (CNTs), it was found that the aromatization catalysts could promote effectively the formation of CNT. The essence of this phenomenon was attributed to the fact that the aromatization catalyst can accelerate the dehydrogenation–cyclization and condensation reaction of carbon source, which belongs to a necessary step in the formation of CNTs. In this work, aromatization catalysts, H-beta zeolite, HZSM-5 zeolite and organically modified montmorillonite (OMMT) were chosen to investigate their effects on the formation of multi-walled carbon nanotubes (MWCNTs) via pyrolysis method when polypropylene and 1-hexene as carbon source and Ni2O3 as the charring catalyst. The results demonstrated that the combination of those aromatization catalysts with nickel catalyst can effectively improve the formation of MWCNTs.

  20. Affinity labelling enzymes with esters of aromatic sulfonic acids

    Science.gov (United States)

    Wong, Show-Chu; Shaw, Elliott

    1977-01-01

    Novel esters of aromatic sulfonic acids are disclosed. The specific esters are nitrophenyl p- and m-amidinophenylmethanesulfonate. Also disclosed is a method for specific inactivation of the enzyme, thrombin, employing nitrophenyl p-amidinophenylmethanesulfonate.

  1. Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

    DEFF Research Database (Denmark)

    Arcangeli, Jean-Pierre; Arvin, Erik

    1995-01-01

    This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols, chlorophe......This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols......-reducing conditions, toluene was easily biodegraded. The xylenes and ethylbenzene were degraded cometabolically if toluene was used as a primary carbon source; their removal was influenced by competitive inhibition with toluene. These interaction phenomena are discussed in this paper and a kinetic model taking...

  2. Studies on degradation of chlorinated aromatic hydrocarbon by ...

    African Journals Online (AJOL)

    SERVER

    2007-06-04

    Jun 4, 2007 ... that 93 to 95 percentage of chlorobenzene can be decomposed with in 10 min. The immobilized crude ... rmanikandan1968@yahoo.com. sole source of carbon ... Microbial degradation of chloro-substituted aromatics such as ...

  3. Biodegradation of polycyclic aromatic hydrocarbons (PAHs) in spent ...

    African Journals Online (AJOL)

    femdot

    2015-02-16

    Feb 16, 2015 ... percentage total PAHs remaining in FCF soil ranged from 71.7 to 73.6% when inoculated with P. ... Key words: Biodegradation, polycyclic aromatic hydrocarbons (PAHs), cutting fluids, .... E-mail: oyinpek@yahoo.com.

  4. Basmati aromatic rice genotypes of India using microsatellite markers

    African Journals Online (AJOL)

    Administrator

    Aromatic rice is preferred by consumers all over the world due to its flavor and palatability. ... A dendrogram based on cluster analysis by microsatellite polymorphism grouped all the ..... and Basmati 370) showed a higher degree of similarity.

  5. Six-Membered Aromatic Polyazides: Synthesis and Application.

    Science.gov (United States)

    Chapyshev, Sergei V

    2015-10-21

    Aromatic polyazides are widely used as starting materials in organic synthesis and photochemical studies, as well as photoresists in microelectronics and as cross-linking agents in polymer chemistry. Some aromatic polyazides possess high antitumor activity, while many others are of considerable interest as high-energy materials and precursors of high-spin nitrenes and C₃N₄ carbon nitride nanomaterials. The use of aromatic polyazides in click-reactions may be a new promising direction in the design of various supramolecular systems possessing interesting chemical, physical and biological properties. This review is devoted to the synthesis, properties and applications of six-membered aromatic compounds containing three and more azido groups in the ring.

  6. Assessing Uncertainty of Interspecies Correlation Estimation Models for Aromatic Compounds

    Science.gov (United States)

    We developed Interspecies Correlation Estimation (ICE) models for aromatic compounds containing 1 to 4 benzene rings to assess uncertainty in toxicity extrapolation in two data compilation approaches. ICE models are mathematical relationships between surrogate and predicted test ...

  7. [Inhibition of aromatics on ammonia-oxidizing activity of sediment].

    Science.gov (United States)

    Dong, Chun-hong; Hu, Hong-ying; Wei, Dong-bin; Huang, Xia; Qian, Yi

    2004-03-01

    The inhibition of 24 aromatics on ammonia-oxidizing activity of nitrifying bacteria in sediment was measured. The effects of the kind, number and position of substituted groups on ammonia-oxidizing activity of nitrifying bacteria were discussed. The inhibition of mono-substituted benzenes on ammonia-oxidizing activity of nitrifying bacteria were in order of -OH > -NO2 > -NH2 > -Cl > -CH3 > -H. The position of substituted groups of di-substituted benzenes also affected the inhibition, and the inhibitions of dimethylbenzenes(xylene) were in order of meta-> ortho-> para-. The increase in number of substituted group on benzene-ring enhanced the inhibition of aromatics studied in this study on nitrifying bacteria. There was a linear relationship between inhibition (IC50, mumol.L-1) of aromatics on ammonia-oxidizing activity and total electronegativity (sigma E) of aromatics: lgIC50 = 14.72 - 0.91 sigma E.

  8. Prenyl transfer to aromatic substrates: genetics and enzymology.

    Science.gov (United States)

    Heide, Lutz

    2009-04-01

    Aromatic prenyltransferases catalyze the transfer of prenyl moieties to aromatic acceptor molecules and give rise to an astounding diversity of primary and secondary metabolites in plants, fungi and bacteria. Significant progress has been made in the biochemistry and genetics of this heterogeneous group of enzymes in the past years. After 30 years of extensive research on plant prenylflavonoid biosynthesis, finally the first aromatic prenyltransferases involved in the formation of these compounds have been cloned. In bacteria, investigations of the newly discovered family of ABBA prenyltransferases revealed a novel type of protein fold, the PT barrel. In fungi, a group of closely related indole prenyltransferase was found to carry out aromatic prenylations with different substrate specificity and regiospecificity, and to catalyze both regular and reverse prenylations.

  9. Six-Membered Aromatic Polyazides: Synthesis and Application

    Directory of Open Access Journals (Sweden)

    Sergei V. Chapyshev

    2015-10-01

    Full Text Available Aromatic polyazides are widely used as starting materials in organic synthesis and photochemical studies, as well as photoresists in microelectronics and as cross-linking agents in polymer chemistry. Some aromatic polyazides possess high antitumor activity, while many others are of considerable interest as high-energy materials and precursors of high-spin nitrenes and C3N4 carbon nitride nanomaterials. The use of aromatic polyazides in click-reactions may be a new promising direction in the design of various supramolecular systems possessing interesting chemical, physical and biological properties. This review is devoted to the synthesis, properties and applications of six-membered aromatic compounds containing three and more azido groups in the ring.

  10. Source determination of polynuclear aromatic hydrocarbons in water ...

    African Journals Online (AJOL)

    SERVER

    2008-02-05

    Feb 5, 2008 ... African Journal of Biotechnology Vol. 7 (3), pp. 282-285, 5 ... Polynuclear aromatic hydrocarbons in surface water and sediment of Ekpan Creek of the Warri River ... contaminated with industrial PAHs wastes have directly.

  11. Solvent-free functionalization of fullerene C{sub 60} and pristine multi-walled carbon nanotubes with aromatic amines

    Energy Technology Data Exchange (ETDEWEB)

    Ramírez-Calera, Itzel J. [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510, México, D.F. (Mexico); Meza-Laguna, Victor [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Gromovoy, Taras Yu. [O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of the Ukraine, Gen. Naumova 17, 03164 Kiev (Ukraine); Chávez-Uribe, Ma. Isabel [Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Basiuk, Vladimir A., E-mail: basiuk@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Basiuk, Elena V., E-mail: elbg1111@gmail.com [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510, México, D.F. (Mexico)

    2015-02-15

    Highlights: • Pristine multi-walled carbon nanotubes were functionalized with aromatic amines. • The amines add onto nanotube defects, likewise they add onto fullerene C{sub 60}. • The addition takes place at elevated temperature and without organic solvents. • Functionalized nanotubes were characterized by a number of instrumental techniques. - Abstract: We employed a direct one-step solvent-free covalent functionalization of solid fullerene C{sub 60} and pristine multi-walled carbon nanotubes (MWCNTs) with aromatic amines 1-aminopyrene (AP), 2-aminofluorene (AF) and 1,5-diaminonaphthalene (DAN). The reactions were carried out under moderate vacuum, in a wide temperature range of 180–250 °C, during relatively short time of about 2 h. To confirm successful amine attachment, a large number of analytical techniques were used (depending on the nanomaterial functionalized) such as Fourier transform infrared, Raman, X-ray photoelectron, {sup 13}C cross-polarization magic angle spinning NMR spectroscopy, thermogravimetric analysis, laser-desorption ionization time-of-flight mass spectrometry, temperature-programmed desorption with mass spectrometric detection, as well as scanning and transmission electron microscopy. The nucleophilic addition of the aromatic amines to C{sub 60} molecule was studied theoretically by using density functional theory (PBE GGA functional with Grimme dispersion correction in conjunction with the DNP basis set). In the case of crystalline C{sub 60}, the solvent-free technique has a limited applicability due to poor diffusion of vaporous aromatic amines into the bulk. Nevertheless, the approach proposed allows for a facile preparation of aromatic amine-functionalized pristine MWCNTs without contamination with other chemical reagents, detergents and solvents, which is especially important for a vast variety of nanotube applications spanning from nanoelectronics to nanomedicine.

  12. Terahertz Spectroscopy of Biochars and Related Aromatic Compounds

    Science.gov (United States)

    Lepodise, L. M.; Horvat, J.; Lewis, R. A.

    2016-07-01

    A recent application of terahertz spectroscopy is to biochar, the agricultural charcoal produced by pyrolysis of various organic materials. Biochars simultaneously improve soil fertility and assist in carbon sequestration. Terahertz spectroscopy allows different biochars to be distinguished. However, the origin of the absorption features observed has not been clear. Given that biochar-based fertilizers are rich in aromatic compounds, we have investigated simple aromatic compounds as an approach to unravelling the complex biochar spectrum.

  13. Aromatic VOCs global influence in the ozone production

    Science.gov (United States)

    Cabrera-Perez, David; Pozzer, Andrea

    2016-04-01

    Aromatic hydrocarbons are a subgroup of Volatile Organic Compounds (VOCs) of special interest in the atmosphere of urban and semi-urban areas. Aromatics form a high fraction of VOCs, are highly reactive and upon oxidation they are an important source of ozone. These group of VOCs are released to the atmosphere by processes related to biomass burning and fossil fuel consumption, while they are removed from the atmosphere primarily by OH reaction and by dry deposition. In addition, a branch of aromatics (ortho-nitrophenols) produce HONO upon photolysis, which is responsible of certain amount of the OH recycling. Despite their importance in the atmosphere in anthropogenic polluted areas, the influence of aromatics in the ozone production remains largely unknown. This is of particular relevance, being ozone a pollutant with severe side effects on air quality, health and climate. In this work the atmospheric impacts at global scale of the most emitted aromatic VOCs in the gas phase (benzene, toluene, xylenes, ethylbenzene, styrene, phenol, benzaldehyde and trimethylbenzenes) are analysed and assessed. Specifically, the impact on ozone due to aromatic oxidation is estimated, as this is of great interest in large urban areas and can be helpful for developing air pollution control strategies. Further targets are the quantification of the NOx loss and the OH recycling due to aromatic oxidation. In order to investigate these processes, two simulations were performed with the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model. The simulations compare two cases, one with ozone concentrations when aromatics are present or the second one when they are missing. Finally, model simulated ozone is compared against a global set of observations in order to better constrain the model accuracy.

  14. Catalytic co-aromatization of ethanol and methane

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Aiguo; He, Peng; Yung, Matthew; Zeng, Hongbo; Qian, Hui; Song, Hua

    2016-12-01

    This study demonstrates the technical feasibility of simultaneously converting ethanol and methane into liquid hydrocarbons at mild reaction conditions (400 degrees C and 1 atm) over silver and/or zinc modified zeolite catalysts. After GC-MS analysis, it is worth noting that aromatics are the major compounds contained in the liquid product collected from the run when 1%Ag/ZSM-5, particularly after H2 pretreatment, is charged. Compared to the performance exhibited from the run with pure HZSM-5 support engaged, Ag addition into the HZSM-5 framework favors aromatics formation, which might be closely associated with better Ag dispersion and more abundance of strong surface acidic sites where aromatization might take place while Zn loading exerts a detrimental effect on the production of aromatics but promotes the ether generation possibly through dehydration reaction. Referred to that from its N2 counterpart, the increased aromatics formation of the collected liquid product when methane is present indicates that methane existence might facilitate ethanol aromatization. Moreover, combined with the increased carbon number in the formed aromatics from CH4 run when H2 run is referred and zero liquid formation from CH4-alone test as well as more prominent endothermic feature of methane run and more importantly the notably increased 13C signals in 13C NMR spectra of the liquid product collected during ethanol conversion under 13CH4 environment, all the observations suggest that methane might be activated nonoxidatively and converted into higher hydrocarbons, preferentially into aromatics if suitable catalyst is charged under the assistance of co-existing oxygenated hydrocarbon. The reported synergetic effect could potentially lead to the more economic utilization of abundant natural gas and cellulosic ethanol.

  15. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons Dissertation

    OpenAIRE

    Nkansah, Marian Asantewah

    2012-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refi...

  16. Transient Crystallization of an Aromatic Polyetherimide: Effect of Annealing

    Science.gov (United States)

    1991-01-01

    on the annealing behavior of an aromatic polyetherimide ( Ultem 5001). Although crystallization from the melt did not occur, crystallinity was easily...in LARC-TPI. 10-’ 3 Ultem aromatic polyetherimide, first reported by Serfaty, 15 is an amorphous thermoplastic with the following structure for a...commercially available Ultem 1000. 0 0 0n Our studies have been carried out on Ultem 5001-based materials which is a new aro- matic polyetherimide with

  17. KINETICS OF MESOPHASE FORMATION OF A LYOTROPIC AROMATIC POLYAMIDE

    Institute of Scientific and Technical Information of China (English)

    CHEN Shouxi

    1989-01-01

    The kinetics of mesophase formation of a lyotropic aromatic polyamide from isotropic state has been studied by means of depolarized light intensity. Avrami type analysis of the data gives an exponent close to 1, which suggests the nucleation followed by one-dimensional growth. No influence of blending flexible chain from nylon 6 to the aromatic polyamide on the kinetics of mesophase formation was observed.

  18. Engineered biosynthesis of bacterial aromatic polyketides in Escherichia coli

    OpenAIRE

    Zhang, Wenjun; Li, Yanran; Tang, Yi

    2008-01-01

    Bacterial aromatic polyketides are important therapeutic compounds including front line antibiotics and anticancer drugs. It is one of the last remaining major classes of natural products of which the biosynthesis has not been reconstituted in the genetically superior host Escherichia coli. Here, we demonstrate the engineered biosynthesis of bacterial aromatic polyketides in E. coli by using a dissected and reassembled fungal polyketide synthase (PKS). The minimal PKS of the megasynthase PKS4...

  19. Structure and Aromaticity of AlCO-substituted Semibullvalene

    Institute of Scientific and Technical Information of China (English)

    YAO Wen-Zhi; WU Hai-Shun

    2007-01-01

    The structures, energies and aromaticity (the nuclear-independent chemical shifts,NICS) of AlCO-substituted semibullvalenes were investigated at the B3LYP/6-311+G** level.Similar to BCO-substituted analogues, [2,6]-AlCO-semibullvalene is neutral bishomoaromatic.The NICS values reveal that the aromaticity of AlCO-substituted structures is smaller than that of BCO analogues.

  20. Terahertz Spectroscopy of Biochars and Related Aromatic Compounds

    Science.gov (United States)

    Lepodise, L. M.; Horvat, J.; Lewis, R. A.

    2016-12-01

    A recent application of terahertz spectroscopy is to biochar, the agricultural charcoal produced by pyrolysis of various organic materials. Biochars simultaneously improve soil fertility and assist in carbon sequestration. Terahertz spectroscopy allows different biochars to be distinguished. However, the origin of the absorption features observed has not been clear. Given that biochar-based fertilizers are rich in aromatic compounds, we have investigated simple aromatic compounds as an approach to unravelling the complex biochar spectrum.

  1. CHARACTERISTICS OF AROMATIC HYDROCARBONS IN CRUDE OILS

    Institute of Scientific and Technical Information of China (English)

    罗斌杰; 李新宇

    1994-01-01

    Crude oils from different basins in China ,Australia and New Zealand were analyzed to character-ize aromatic hydrocarbons produced in different environments by means of GC/MS .The distributions of some common compounds such as naphthalene, phenanthrene, chrysene,pyrene, fluoranthene, fluorine,dibenzothiophene and dibenzofuran were found to be related to sedimentary environments.Especially the relative contents of fluorenes ,dibenzofurans and dibenzothiophenes can be used to di-vide the oils into three types(1) saline or marine carbonate environment;(2) fresh-brackish water lake;(3) swamp and coal-bearing sequence.A romatic biomarkers (e.g.retene, nor-abietene,derivatives of lupeol and β-amyrin)represent higher plant inpults with respect to the precursors of crude oils. High contents of sulphur-containing compounds like benzothiophene and dibenzothiophene series indicate a reducing sulphur-abundant diagenetic condition .The benzohopane series (C32-C35) was identified both in hypersaline and coal-bearing basins, and it is postulated to be the result of strong bacteria activity.In all the sam-ples, a complete series of alkyl benzenes was analyzed .The similarity of its carbon-number distrbu-tion with that of n-alkanes probably suggests their genetic relationship. The distribution of the methylphenanthrene series reflects the evolution degree of crude oils,MPI holding a positive correlation with C29-sterane 20S/(20S+20R).

  2. Highly Energetic, Low Sensitivity Aromatic Peroxy Acids.

    Science.gov (United States)

    Gamage, Nipuni-Dhanesha H; Stiasny, Benedikt; Stierstorfer, Jörg; Martin, Philip D; Klapötke, Thomas M; Winter, Charles H

    2016-02-18

    The synthesis, structure, and energetic materials properties of a series of aromatic peroxy acid compounds are described. Benzene-1,3,5-tris(carboperoxoic) acid is a highly sensitive primary energetic material, with impact and friction sensitivities similar to those of triacetone triperoxide. By contrast, benzene-1,4-bis(carboperoxoic) acid, 4-nitrobenzoperoxoic acid, and 3,5-dinitrobenzoperoxoic acid are much less sensitive, with impact and friction sensitivities close to those of the secondary energetic material 2,4,6-trinitrotoluene. Additionally, the calculated detonation velocities of 3,5-dinitrobenzoperoxoic acid and 2,4,6-trinitrobenzoperoxoic acid exceed that of 2,4,6-trinitrotoluene. The solid-state structure of 3,5-dinitrobenzoperoxoic acid contains intermolecular O-H⋅⋅⋅O hydrogen bonds and numerous N⋅⋅⋅O, C⋅⋅⋅O, and O⋅⋅⋅O close contacts. These attractive lattice interactions may account for the less sensitive nature of 3,5-dinitrobenzoperoxoic acid.

  3. Synthesis and characterization of organosoluble aromatic copolyimids

    Institute of Scientific and Technical Information of China (English)

    YANG Jintian; HUANG Wei; ZHOU Yongfeng; YAN Deyue

    2007-01-01

    A series of aromatic copolyimides was success fully synthesized from the commercial pyromellitic dianhy dride (PMDA) with a commercial diamine p-phenyldiamine (PDA) and a diamine 4,4'-methylenebis-(2-tert-butylaniline)(MBTBA) specially designed by the authors.The copoly imides were characterized by Infra-red (IR),Nuclear Magnetic Resonance (NMR),Gel Permeation Chromato graphy (GPC),Ultraviolet Visual (UV-Vis),Thermogra vimetic Analysis (TGA) and Dynamic Mechanical Analysis (DMA).The copolyimide was precipitated in m-cresol in the polymerization process when the molar ratio of MBTBA and PDA was lower than 6/4.The number-average molecular weight of the soluble copolyimides measured by GPC was larger than 4.0 x 104,and the polydispersity index was higher than 1.5.Only one glass transition temperature of these copolyimdies was detected around 360℃ by DMA.The copolyimides did not show appreciable decomposition up to 500℃ under N2,and the thermal stability of the copolyimide increased a little with the introduction of PDA into the polyimide main chain.

  4. Biodegradation of aliphatic and aromatic polycarbonates.

    Science.gov (United States)

    Artham, Trishul; Doble, Mukesh

    2008-01-01

    Polycarbonate is one of the most widely used engineering plastics because of its superior physical, chemical, and mechanical properties. Understanding the biodegradation of this polymer is of great importance to answer the increasing problems in waste management of this polymer. Aliphatic polycarbonates are known to biodegrade either through the action of pure enzymes or by bacterial whole cells. Very little information is available that deals with the biodegradation of aromatic polycarbonates. Biodegradation is governed by different factors that include polymer characteristics, type of organism, and nature of pretreatment. The polymer characteristics such as its mobility, tacticity, crystallinity, molecular weight, the type of functional groups and substituents present in its structure, and plasticizers or additives added to the polymer all play an important role in its degradation. The carbonate bond in aliphatic polycarbonates is facile and hence this polymer is easily biodegradable. On the other hand, bisphenol A polycarbonate contains benzene rings and quaternary carbon atoms which form bulky and stiff chains that enhance rigidity. Even though this polycarbonate is amorphous in nature because of considerable free volume, it is non-biodegradable since the carbonate bond is inaccessible to enzymes because of the presence of bulky phenyl groups on either side. In order to facilitate the biodegradation of polymers few pretreatment techniques which include photo-oxidation, gamma-irradiation, or use of chemicals have been tested. Addition of biosurfactants to improve the interaction between the polymer and the microorganisms, and blending with natural or synthetic polymers that degrade easily, can also enhance the biodegradation.

  5. Optimization of low ring polycylic aromatic biodegradation

    Science.gov (United States)

    Othman, N.; Abdul-Talib, S.; Tay, C. C.

    2016-07-01

    Polycyclic aromatic hydrocarbons (PAHs) are recalcitrance and persistence that finally turn into problematic environmental contaminants. Microbial degradation is considered to be the primary mechanism of PAHs removal from the environment due to its organic criteria. This study is carried out to optimize degradation process of low ring PAHs. Bacteria used in this study was isolated from sludge collected from Kolej Mawar, Universiti Teknologi MARA, Shah Alam, Selangor. Working condition namely, substrate concentration, bacteria concentration, pH and temperature were optimized. PAHs in the liquid sample was extracted by using solid phase microextractio equipped with a 7 µm polydimethylsiloxane (PDMS) SPME fibr. Removal of PAHs were assessed by measuring PAHs concentration using GC-FID. Results from the optimization study of biodegradation indicated that maximum rate of PAHs removal occurred at 100 mgL-1 of PAHs, 10% bacteria concentration, pH 7.0 and 30°C. These working condition had proved the effectiveness of using bacteria in biodegradation process of PAHs.

  6. Atmospheric polycyclic aromatic hydrocarbons in Seoul, Korea

    Science.gov (United States)

    Park, Seung S.; Kim, Young J.; Kang, Chang H.

    Daily particulate- and vapor-phase polycyclic aromatic hydrocarbons (PAH) samples were collected at an urban site in Seoul, Korea, during five intensive sampling campaigns between October 1998 and December 1999. PAH samples collected on quartz fiber filters and PUF plugs were first extracted using dichloromethane with ultrasonication and supercritical fluid extraction methods, respectively, and then analyzed by GC/MSD/SIM. Seasonal trends in atmospheric PAH concentrations in the study area were highly influenced by fossil fuel usage for domestic heating, boundary layer height, and air temperature. The relative benzo[a]pyrene amount and particulate organic to elemental carbon ratio calculated from the measurement results suggested that photo-oxidation is not an important factor in the variation of PAH concentrations during the summer sampling periods. Correlation studies between specific PAH of the individual factors identified by principal component factor analysis and meteorological parameters revealed that both temperature and relative humidity gave greater effects on the semi-volatile PAH, PHEN and FLT, rather than on the heavier PAH, B(b+k)F and BghiP.

  7. Investigation of Y/SBA Composite Molecular Sieves Morphology Control and Catalytic Performance for n-Pentane Aromatization

    Science.gov (United States)

    Shi, Chun-Wei; Wu, Wen-Yuan; Li, Shuai; Bian, Xue; Zhao, Shan-Lin; Pei, Ming-Yuan

    2016-03-01

    Using Y molecular sieve as the core, Y/SBA-15 composite molecular sieves were prepared by different crystallization methods in the paper. The growth process and morphologies of the composite molecular sieves were controlled by adjusting the synthesis factors. The structures and acidity of two kinds of composite molecular sieves were characterized by X-ray diffraction (XRD), N2 adsorption/desorption, transmission electron microscopy (TEM), and NH3-TPD. The catalysis performances of the composite molecular sieves were investigated in the aromatization reaction of n-pentane. The results indicated that the desired core-shell composite molecular sieves were obtained when the crystallization conditions were 36 hours, 100 °C and secondary crystallization. The aromatization results showed that core-shell composite molecular sieves had better selectivity for producing high application value xylenes compared to mixed-crystal composite molecular sieves.

  8. 多氟代、多氯代和多溴代二苯并对二噁英化合物的一些性质的比较研究%Comparative Studies on Some Properties of Polyfluorinated,Polychlorinated and Polybrominated Dibenzo-p-dioxins

    Institute of Scientific and Technical Information of China (English)

    侯海锋; 陈斌媛; 张学胜; 王遵尧

    2011-01-01

    The thermodynamic properties of 76 polyfluorinated dibenzo-p-dioxins (PFDDs) in the ideal gas state at 298.15 K and 1.013×105 Pa have been calculated at the B3LYP/6-311G** and B3LYP/6-31G* levels using Gaussian 03 program, and it was found that values of standard enthalpy of formation (△fH-θ), standard free energy of formation (△fGθ) and standard entropy (Sθ) were broadly consistent under the two base groups. According to the relative magnitude of their △fGθ at the B3LYP/6-311G** level, the relative stability order of PFDD congeners was theoretically proposed. Octanol-water partition coefficients (lg Kow) of polybrominated dibenzofurans (PBDDs), polychlorinated dibenzofurans (PCDDs) and PFDDs were calculated by group contributions. Comparison of the properties (including lg Kow, Sθ, △fH-θ and △fGθ) between PFDDs and PCDDs, PBDDs was carried out. Moreover, the relative rate constants of formation reactions of PFDDs and the values of molar heat capacity at constant pressure (Cp,m) from 200 to 1800 K for PFDDs congeners were calculated using a statistical thermodynamics calculation program. The temperature dependence relation of Cp,m was obtained using the least-squares method. The result shows that there exists very good relationship between Cp.m and temperature (T, T-1 and T-2) for almost all PFDD congeners.%采用密度泛函理论(DFT)方法,在B3LYP/6-311G**和B3LYP/6-31G**两种水平上,对76种多氟代二苯并对二噁英系列化合物(PFDDs)进行了几何构型的全优化,并计算了各分子在298.15 K,1.013×105 Pa的标准状态下的热力学参数.基组从6-31G*增大到6-311G**没有显著改变标准生成热(△fHθ)、标准生成自由能(△fGθ)和标准熵(Sθ)数值.根据B3LYP/6-311G**水平计算得到的△fGθ的相对大小,求得PFDDs同数目取代氟原子的各异构体的相对稳定性的顺序.采用基团贡献法计算了多溴代二苯并对二噁英(PBDDs)、多氯代二苯并对二噁英(PCDDs

  9. Bio-Based Aromatic Epoxy Monomers for Thermoset Materials.

    Science.gov (United States)

    Ng, Feifei; Couture, Guillaume; Philippe, Coralie; Boutevin, Bernard; Caillol, Sylvain

    2017-01-18

    The synthesis of polymers from renewable resources is a burning issue that is actively investigated. Polyepoxide networks constitute a major class of thermosetting polymers and are extensively used as coatings, electronic materials, adhesives. Owing to their outstanding mechanical and electrical properties, chemical resistance, adhesion, and minimal shrinkage after curing, they are used in structural applications as well. Most of these thermosets are industrially manufactured from bisphenol A (BPA), a substance that was initially synthesized as a chemical estrogen. The awareness on BPA toxicity combined with the limited availability and volatile cost of fossil resources and the non-recyclability of thermosets implies necessary changes in the field of epoxy networks. Thus, substitution of BPA has witnessed an increasing number of studies both from the academic and industrial sides. This review proposes to give an overview of the reported aromatic multifunctional epoxide building blocks synthesized from biomass or from molecules that could be obtained from transformed biomass. After a reminder of the main glycidylation routes and mechanisms and the recent knowledge on BPA toxicity and legal issues, this review will provide a brief description of the main natural sources of aromatic molecules. The different epoxy prepolymers will then be organized from simple, mono-aromatic di-epoxy, to mono-aromatic poly-epoxy, to di-aromatic di-epoxy compounds, and finally to derivatives possessing numerous aromatic rings and epoxy groups.

  10. Bio-Based Aromatic Epoxy Monomers for Thermoset Materials

    Directory of Open Access Journals (Sweden)

    Feifei Ng

    2017-01-01

    Full Text Available The synthesis of polymers from renewable resources is a burning issue that is actively investigated. Polyepoxide networks constitute a major class of thermosetting polymers and are extensively used as coatings, electronic materials, adhesives. Owing to their outstanding mechanical and electrical properties, chemical resistance, adhesion, and minimal shrinkage after curing, they are used in structural applications as well. Most of these thermosets are industrially manufactured from bisphenol A (BPA, a substance that was initially synthesized as a chemical estrogen. The awareness on BPA toxicity combined with the limited availability and volatile cost of fossil resources and the non-recyclability of thermosets implies necessary changes in the field of epoxy networks. Thus, substitution of BPA has witnessed an increasing number of studies both from the academic and industrial sides. This review proposes to give an overview of the reported aromatic multifunctional epoxide building blocks synthesized from biomass or from molecules that could be obtained from transformed biomass. After a reminder of the main glycidylation routes and mechanisms and the recent knowledge on BPA toxicity and legal issues, this review will provide a brief description of the main natural sources of aromatic molecules. The different epoxy prepolymers will then be organized from simple, mono-aromatic di-epoxy, to mono-aromatic poly-epoxy, to di-aromatic di-epoxy compounds, and finally to derivatives possessing numerous aromatic rings and epoxy groups.

  11. Bond length alternation and aromaticity in large annulenes

    Science.gov (United States)

    Choi, Cheol Ho; Kertesz, Miklos

    1998-04-01

    Properties of [4n] and [4n+2]annulenes were studied as a function of n for up to [66]annulene using Hartree-Fock and density functional theory in the generalized gradient approximation (DFT-GGA). In the 4n+2 series a "transition" from delocalized to localized structures occurs at 4n+2=30. Various indices of aromaticity, including NMR chemical shifts, bond localization, and aromatic stabilization energy (ASE) were monitored. π-bond localization occurs not due to a dramatic decrease of ASE as n increases, but rather as a result of a pseudo-Jahn-Teller (PJT) effect that sets in as the HOMO-LUMO gap decreases with increasing size. The NMR measures of aromaticity (difference between inner and outer 1H chemical shielding constants and the nucleus-independent chemical shifts, NICS) are reduced in the localized structures in comparison to the delocalized ones. The gradual nature of this "transition" is also implied by the relatively large values of the NMR measures of aromaticity that approach zero only gradually for larger size annulenes. Therefore intermediate size annulenes, such as [30]annulene are predicted to have a localized structure and aromatic properties at the same time showing the delocalized structure is not a necessary condition to be aromatic.

  12. Aromatization of n-octane over Pd/C catalysts

    KAUST Repository

    Yin, Mengchen

    2013-01-01

    Gas-phase aromatization of n-octane was investigated using Pd/C catalyst. The objectives were to: (1) determine the effects of temperature (400-600 °C), weight hourly space velocity (WHSV) (0.8-∞), and hydrogen to hydrocarbon molar ratio (MR) (0-6) on conversion, selectivity, and yield (2) compare the activity of Pd/C with Pt/C and Pt/KL catalysts and (3) test the suitability of Pd/C for aromatization of different alkanes including n-hexane, n-heptane, and n-octane. Pd/C exhibited the best aromatization performance, including 54.4% conversion and 31.5% aromatics yield at 500 °C, WHSV = 2 h-1, and a MR of 2. The Pd/C catalyst had higher selectivity towards the preferred aromatics including ethylbenzene and xylenes, whereas Pt/KL had higher selectivity towards benzene and toluene. The results were somewhat consistent with adsorbed n-octane cyclization proceeding mainly through the six-membered ring closure mechanism. In addition, Pd/C was also capable of catalyzing aromatization of n-hexane and n-heptane. © 2012 Elsevier Ltd. All rights reserved.

  13. PREPARATION AND CHARACTERIZATION OF SURFACE-MODIFIED NANO-TiO2/AROMATIC POLYAMIDE COMPOSITE REVERSE OSMOSIS MEMBRANES%表面改性纳米二氧化钛—芳香聚酰胺复合反渗透膜的制备与表征

    Institute of Scientific and Technical Information of China (English)

    宋杰; 徐子丹; 周勇; 高从堦

    2013-01-01

    Hydrophilic nano-TiO2 particles were surface modified with trimesoyl chloride (TMC) and then added into polyamide layer of thin film composite membranes to prepare surface-modified Nano-TiO2-polyamide composite RO membranes for desalination.The modified Nano-TiO2 were characterized by fourier transform infrared spectroscopy (FT-IR) and submicron particle size analyzer.The properties and structure of membranes were characterized by the permeation experiment,scanning electron microscopy (SEM),contact angle measurement,and atomic force microscope (AFM),respectively.The results showed that TiO2 were successfully surface-modified with TMC.The SEM and AFM images depicted that the modified TiO2 were well dispersed in the polyamide thin film layer and the surface of membrane was rougher than before.The results of contact angle measurement indicated that the hydrophilicity of membranes was increased after addition of the nano-TiO2 into composite membranes.The RO performance results verified that the flux of the modified-TiO2 composite membranes was all higher than that of the pure polyamide membranes under the same conditions,whereas the salt rejection was improved slightly.The flux of the hybrid composite membranes with 0.05% (m/v) TiO2 loading was increased from 11.21L/ (m2·h) to 32.61 L/ (m2 ·h),while the salt rejection was increased to 98.9%.The experimental results revealed that the modified TiO2 was well dispersed in the polyamide thin film layer,and hence improved the water permeation while maintaining high salt rejection.%采用TMC对亲水纳米TiO2进行表面改性,然后添加在复合反渗透膜的聚酰胺层中,制备了改性纳米TiO2-聚酰胺复合反渗透膜.改性纳米TiO2使用红外光谱法(FTIR)和粒径分析仪进行表征;采用渗透试验,扫描电镜(SEM)、静态接触角仪、原子力显微镜等对复合膜的性能和结构分别测试和表征.结果表明,改性TiO2的表面接枝上酰氯基团,在有机溶剂中的分散

  14. Heterolytic Activation of Hydrogen Promoted by Ruthenium Nanoparticles immobilized on Basic Supports and Hydrogenation of Aromatic Compounds

    Science.gov (United States)

    Fang, Minfeng

    Despite the aggressive development and deployment of new renewable and nuclear technologies, petroleum-derived transportation fuels---gasoline, diesel and jet fuels---will continue to dominate the markets for decades. Environmental legislation imposes severe limits on the tolerable proportion of aromatics, sulfur and nitrogen contents in transportation fuels, which is difficult to achieve with current refining technologies. Catalytic hydrogenation plays an important role in the production of cleaner fuels, both as a direct means to reduce the aromatics and as a key step in the hydrodenitrogenation (HDN) and hydrodesulfurization (HDS) processes. However, conventional catalysts require drastic conditions and/or are easily poisoned by S or N aromatics. Therefore, there is still a need for new efficient catalysts for hydrogenation reactions relevant to the production of cleaner fossil fuels. Our catalyst design involves metallic nanoparticles intimately associated with a basic support, with the aim of creating a nanostructure capable of promoting the heterolytic activation of hydrogen and ionic hydrogenation mechanisms, as a strategy to avoid catalyst poisoning and enhance catalytic activity. We have designed and prepared a new nanostructured catalytic material composed of RuNPs immobilized on the basic polymer P4VPy. We have demonstrated that the Ru/P4VPy catalyst can promote heterolytic hydrogen activation and a unique surface ionic hydrogenation mechanism for the efficient hydrogenation of N-aromatics. This is the first time these ionic hydrogenation pathways have been demonstrated on solid surfaces. For the RuNPs surfaces without basic sites in close proximity, the conventional homolytic H2 splitting is otherwise involved. Using the mechanistic concepts from Ru/P4VPy, we have designed and prepared the Ru/MgO catalyst, with the aim to improve the catalytic efficiency for the hydrogenation of heteroatom aromatics operating by the ionic hydrogenation mechanism. The Ru

  15. Reduction of Aromatic α-Keto Esters by Commercially Available Zinc Dust and Ammonium Formate:Formation of Aromatic a-Hydroxy Esters

    Institute of Scientific and Technical Information of China (English)

    CHEN Gang; YAO Guo-xin; SONG Guang-wei; ZHU Jin-tao

    2011-01-01

    Various aromatic α-keto esters were rapidly and selectively reduced to aromatic α-hydroxy esters by commercially available zinc dust and ammonium formate in the presence of other functional groups such as halogens,methoxy and esters.

  16. Resin catalysts and method of preparation

    Science.gov (United States)

    Smith, L.A. Jr.

    1986-12-16

    Heat stabilized catalyst compositions are prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.

  17. How Prepared is Prepared Enough?

    Science.gov (United States)

    Porter-Levy; Macleod; Rickert

    1996-10-01

    A 17-year-old female was in the final stage in treatment of right unilateral cleft lip and palate. She had undergone a number of previous surgeries. Hearing and speech were good on evaluation, and her social and family situation were deemed excellent. After preparatory orthodontics she underwent a Lefort I maxillary advancement. Surgery was successful and she was admitted into postoperative recovery. However, the lack of adequate preoperative preparation caused traumatic reaction from the patient and her parents: anxiety over appearance, crying, refusal of oral fluids and oral care, refusal of analgesia, and refusal to mobilize. The patience and persistence of hospital staff slowly overcame all adversities and the patient moved on to full and successful recovery, but this case prompted changes in preoperative procedures and involvement of patients and their families in postoperative meal selection, planing, and preparation.

  18. Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Hudgins, Douglas M.; Bauschlicher, Charles W., Jr.; Allamandola, Louis J.; DeVincenzi, Donald (Technical Monitor)

    2001-01-01

    Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

  19. Arginine-aromatic interactions and their effects on arginine-induced solubilization of aromatic solutes and suppression of protein aggregation

    KAUST Repository

    Shah, Dhawal

    2011-09-21

    We examine the interaction of aromatic residues of proteins with arginine, an additive commonly used to suppress protein aggregation, using experiments and molecular dynamics simulations. An aromatic-rich peptide, FFYTP (a segment of insulin), and lysozyme and insulin are used as model systems. Mass spectrometry shows that arginine increases the solubility of FFYTP by binding to the peptide, with the simulations revealing the predominant association of arginine to be with the aromatic residues. The calculations further show a positive preferential interaction coefficient, Γ XP, contrary to conventional thinking that positive Γ XP\\'s indicate aggregation rather than suppression of aggregation. Simulations with lysozyme and insulin also show arginine\\'s preference for aromatic residues, in addition to acidic residues. We use these observations and earlier results reported by us and others to discuss the possible implications of arginine\\'s interactions with aromatic residues on the solubilization of aromatic moieties and proteins. Our results also highlight the fact that explanations based purely on Γ XP, which measures average affinity of an additive to a protein, could obscure or misinterpret the underlying molecular mechanisms behind additive-induced suppression of protein aggregation. © 2011 American Institute of Chemical Engineers (AIChE).

  20. Titania Nanotubes Grown on Carbon Fibers for Photocatalytic Decomposition of Gas-Phase Aromatic Pollutants

    Directory of Open Access Journals (Sweden)

    Wan-Kuen Jo

    2014-03-01

    Full Text Available This study aimed to prepare titania (TiO2 nanotube (TNT arrays grown on un-activated carbon fibers (UCFs, with the application of different TiO2 loadings based on the coating-hydrothermal process, and to evaluate their photocatalytic activity for the degradation of sub-ppm levels of aromatic pollutants (benzene, toluene, ethyl benzene, and o-xylene (BTEX using a plug-flow photocatalytic reactor. The characteristics of the prepared photocatalysts were determined by scanning electron microscopy (SEM, energy-dispersive X-ray (EDX, transmission electron microscopy (TEM, UV-visible absorption spectroscopy (UV-Vis and X-ray diffraction (XRD analyses. Spectral analysis showed that the prepared photocatalysts were closely associated with the characteristics of one-dimensional nanostructured TiO2 nanotubes for TNTUCFs and spherical shapes for TiO2-coated UCF (TUCF. The photocatalytic activities of BTEX obtained from TNTUCFs were higher than those obtained from a reference photocatalyst, TUCF. Specifically, the average degradation efficiencies of BTEX observed for TNTUCF-10 were 81%, 97%, 99%, and 99%, respectively, while those observed for TUCF were 14%, 42%, 52%, and 79%, respectively. Moreover, the photocatalytic activities obtained for TNTUCFs suggested that the degradation efficiencies of BTEX varied with changes in TiO2 loadings, allowing for the optimization of TiO2 loading. Another important finding was that input concentrations and air flow rates could be important parameters for the treatment of BTEX, which should be considered for the optimization of TNTUCFs application. Taken together, TNTUCFs can be applied to effectively degrade sub-ppm levels of gas-phase aromatic pollutants through the optimization of operational conditions.

  1. Partition of polycyclic aromatic hydrocarbons on organobentonites

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A series of organobentonites synthesized by exchanging organiccation such as dodecyltri-methylammonium (DTMA),benzyldimethyltetradecylammonium (BDTDA), cetyltrimethyl-ammonium (CTMA), octodeyltrimethylammonium (OTMA) on bentonite. The optimal condition, properties and mechanisms for the organobentonites to sorb phenanthrene, anthracene, naphthalene, acenaphthene in water were investigated in detail. The partition behavior was determined for four polycyclic aromatic hydrocarbons (PAHs), such as naphthalene, phenanthrene, anthracene and acenaphthene, from water to a series of organobentonites. The interlayer spacings and organic carbon contents of organobentonites, removal rate and sorption capacities for organobentonites to treat phenanthrene,anthracene, naphthalene, acenaphthene were correlated to the length of alkyl chains and the amounts of cation surfactant exchanged on Foundation item: the bentonite. Phenanthrene, anthracene, naphthalene, and acenaphthene sorption to organobentonites were characterized by linear isotherms, indicating solute partition between water and the organic phase composed of the large alkyl functional groups of quaternary ammonium cations. PAHs distribution coefficients (Kd)between organobentonites and water were proportional to the organic carbon contents of organobentonites. However, the partition coefficients (Koc) were nearly constants for PAHs in the system of organobentonite-water. The Koc of phenanthrene, anthracene,naphthalene, acenaphthene were 2.621x105, 2.106x105, 2.247x104,5.085x104, respectively. The means Koc values on the organobentonites are about ten to twenty times larger than the values on the soils/sediments, what is significant prerequisite for organobentonite to apply to remediation of pollution soil and groundwater. The sorption mechanism was also evaluated from octanol-water partition coefficients and aqueous solubility of PAHs. The correlations between lgKoc and 1gkow, 1gKoc and 1gS for PAHs in the system of water

  2. Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.

    Science.gov (United States)

    Haddenham, Dustin; Pasumansky, Lubov; DeSoto, Jamie; Eagon, Scott; Singaram, Bakthan

    2009-03-06

    Diisopropylaminoborane [BH(2)N(iPr)(2)] in the presence of a catalytic amount of lithium borohydride (LiBH(4)) reduces a large variety of aliphatic and aromatic nitriles in excellent yields. BH(2)N(iPr)(2) can be prepared by two methods: first by reacting diisopropylamineborane [(iPr)(2)N:BH(3)] with 1.1 equiv of n-butyllithium (n-BuLi) followed by methyl iodide (MeI), or reacting iPrN:BH(3) with 1 equiv of n-BuLi followed by trimethylsilyl chloride (TMSCl). BH(2)N(iPr)(2) prepared with MeI was found to reduce benzonitriles to the corresponding benzylamines at ambient temperatures, whereas diisopropylaminoborane prepared with TMSCl does not reduce nitriles unless a catalytic amount of a lithium ion source, such as LiBH(4) or lithium tetraphenylborate (LiBPh(4)), is added to the reaction. The reductions of benzonitriles with one or more electron-withdrawing groups on the aromatic ring generally occur much faster with higher yields. For example, 2,4-dichlorobenzonitrile was successfully reduced to 2,4-dichlorobenzylamine in 99% yield after 5 h at 25 degrees C. On the other hand, benzonitriles containing electron-donating groups on the aromatic ring require refluxing in tetrahydrofuran (THF) for complete reduction. For instance, 4-methoxybenzonitrile was successfully reduced to 4-methoxybenzylamine in 80% yield. Aliphatic nitriles can also be reduced by the BH(2)N(iPr)(2)/cat. LiBH(4) reducing system. Benzyl cyanide was reduced to phenethylamine in 83% yield. BH(2)N(iPr)(2) can also reduce nitriles in the presence of unconjugated alkenes and alkynes such as the reduction of 2-hexynenitrile to hex-5-yn-1-amine in 80% yield. Unfortunately, selective reduction of a nitrile in the presence of an aldehyde is not possible as aldehydes are reduced along with the nitrile. However, selective reduction of the nitrile group at 25 degrees C in the presence of an ester is possible as long as the nitrile group is activated by an electron-withdrawing substituent. It should be

  3. Novel organometallic aromatic polyester based on ferrocene

    Institute of Scientific and Technical Information of China (English)

    Wei

    2010-01-01

    A novel polyester containing ferrocenyl was prepared by low-temperature interface polycondensation of 1,1'-ferrocenedi-carboxylic acid chloride with 4-(4-hydroxyphenyl)-2,3-phthalazin-l-one(DHPZ), which is a twisted non-coplanar heterocyclic bisphenol-like monomer. The newly generated polymer was evaluated based on characterization of its solubility, viscosity measurements, elemental analysis, FTIR spectroscopy, differential scanning calorimetric and thermogravimetric studies.

  4. Triarylmethane Dyes for Artificial Repellent Cotton Fibers.

    Science.gov (United States)

    Montagut, Ana Maria; Gálvez, Erik; Shafir, Alexandr; Sebastián, Rosa María; Vallribera, Adelina

    2017-03-17

    Families of new hydrophobic and/or oleophobic triarylmethane dyes possessing long hydrocarbon or polyfluorinated chains have been prepared. When covalently grafted on to cotton fabric, these dyes give rise to a new type of colored superhydrophobic fibers.

  5. Synthesis of aromatic polyimides with sulfone diamine moieties for a novel membrane oxygenator.

    Science.gov (United States)

    Kawakami, H; Nagaoka, S

    1995-01-01

    The authors have synthesized soluble aromatic polyimides derived from 2,2'-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride (6FDA) and 3,3'- or 4,4'-diamino-diphenylsulfone (m-DDS or p-DDS) to develop a novel membrane oxygenator. Asymmetric gas exchange membranes for the oxygenator were prepared by a dry/wet phase inversion process. The resulting membrane structure consisted of an ultrathin, selective, and defect free skin layer supported by a porous substructure. The membranes exhibited extremely high gas flux and selectivity. CO2 flux through the polyimide membranes used in this study increased with a decrease in CO2 pressure and was in accordance with the dual mode transport described by a combination of the Henry and Langmuir modes. This indicates that CO2 is selectively removed from the membranes at low CO2 pressure as compared with presently available materials for membrane oxygenators, such as polydimethylsiloxane and polypropylene. The number of platelets adherent to the surface of the polyimide were significantly smaller than those on polydimethylsiloxane and polypropylene, and the deformation and aggregation of platelets on polyimide were not observed. These findings suggest that aromatic polyimides with sulfone diamine moieties are promising membrane materials for an oxygenator.

  6. 3D Printing All-Aromatic Polyimides using Mask-Projection Stereolithography: Processing the Nonprocessable.

    Science.gov (United States)

    Hegde, Maruti; Meenakshisundaram, Viswanath; Chartrain, Nicholas; Sekhar, Susheel; Tafti, Danesh; Williams, Christopher B; Long, Timothy E

    2017-08-01

    High-performance, all-aromatic, insoluble, engineering thermoplastic polyimides, such as pyromellitic dianhydride and 4,4'-oxydianiline (PMDA-ODA) (Kapton), exhibit exceptional thermal stability (up to ≈600 °C) and mechanical properties (Young's modulus exceeding 2 GPa). However, their thermal resistance, which is a consequence of the all-aromatic molecular structure, prohibits processing using conventional techniques. Previous reports describe an energy-intensive sintering technique as an alternative technique for processing polyimides with limited resolution and part fidelity. This study demonstrates the unprecedented 3D printing of PMDA-ODA using mask-projection stereolithography, and the preparation of high-resolution 3D structures without sacrificing bulk material properties. Synthesis of a soluble precursor polymer containing photo-crosslinkable acrylate groups enables light-induced, chemical crosslinking for spatial control in the gel state. Postprinting thermal treatment transforms the crosslinked precursor polymer to PMDA-ODA. The dimensional shrinkage is isotropic, and postprocessing preserves geometric integrity. Furthermore, large-area mask-projection scanning stereolithography demonstrates the scalability of 3D structures. These unique high-performance 3D structures offer potential in fields ranging from water filtration and gas separation to automotive and aerospace technologies. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Formation of Sulfonyl Aromatic Alcohols by Electrolysis of a Bisazo Reactive Dye

    Directory of Open Access Journals (Sweden)

    María P. Elizalde-González

    2012-12-01

    Full Text Available Five sulfonyl aromatic alcohols, namely 4-((2-hydroxyethylsulfonylphenol, 4-((2-(2-((4-hydroxyphenylsulfonylethoxyvinylsulfonylphenol, 4-(ethylsulfonylphenol, 4-(vinylsulfonylphenol and 5-((4-aminophenylsulfonyl-2-penten-1-ol were identified by LC-ESI-Qq-TOF-MS as products formed by electrolysis of the bisazo reactive dye Reactive Black 5 (RB5. Since electrolyses were performed in an undivided cell equipped with Ni electrodes in alkaline medium, amines like 4-(2-methoxyethylsulfonylbenzene-amine (MEBA with m/z 216 were also suspected to be formed due to the plausible chemical reaction in the bulk or the cathodic reduction of RB5 and its oxidation by-products. Aiming to check this hypothesis, a method was used for the preparation of MEBA with 98% purity, via chemical reduction also of the dye RB5. The logP of the synthesized sulfonyl aromatic compounds was calculated and their logkw values were determined chromatographically. These data were discussed in regard to the relationship between hydrophobicity/lipophilicity and toxicity.

  8. Selective Production of Aromatic Aldehydes from Heavy Fraction of Bio-oil via Catalytic Oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yan; Chang, Jie; Ouyang, Yong; Zheng, Xianwei [South China Univ. of Technology, Guangzhou (China)

    2014-06-15

    High value-added aromatic aldehydes (e. g. vanillin and syringaldehyde) were produced from heavy fraction of bio-oil (HFBO) via catalytic oxidation. The concept is based on the use of metalloporphyin as catalyst and hydrogen peroxide (H{sub 2}O{sub 2}) as oxidant under alkaline condition. The biomimetic catalyst cobalt(II)-sulfonated tetraphenylporphyrin (Co(TPPS{sub 4})) was prepared and characterized. It exhibited relative high activity in the catalytic oxidation of HFBO. 4.57 wt % vanillin and 1.58 wt % syringaldehyde were obtained from catalytic oxidation of HFBO, compared to 2.6 wt % vanillin and 0.86 wt % syringaldehyde without Co(TPPS{sub 4}). Moreover, a possible mechanism of HFBO oxidation using Co(TPPS{sub 4})/H{sub 2}O{sub 2} was proposed by the research of model compounds. The results showed that this is a promising and environmentally friendly method for production of aromatic aldehydes from HFBO under Co(TPPS{sub 4})/H{sub 2}O{sub 2} system.

  9. High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

    DEFF Research Database (Denmark)

    Dimzon, Ian Ken; Trier, Xenia; Frömel, Tobias

    2016-01-01

    of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non......-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health. Graphical Abstract ᅟ....

  10. The mutagenic potential of high flash aromatic naphtha.

    Science.gov (United States)

    Schreiner, C A; Edwards, D A; McKee, R H; Swanson, M; Wong, Z A; Schmitt, S; Beatty, P

    1989-06-01

    Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent--high-flash aromatic naphtha. A program was initiated to assess the toxicological properties of high-flash aromatic naphtha since there may be human exposure through inhalation or external body contact. The current study was conducted partly to assess the potential for mutagenic activity and also to assist in an assessment of carcinogenic potential. The specific tests utilized included the Salmonella/mammalian microsome mutagenicity assay, the hypoxanthine-guanine phosphoribosyl transferase (HGPRT) forward mutation assay in CHO cells, in vitro chromosome aberration and sister chromatid exchange (SCE) assays in CHO cells, and an in vivo chromosome aberration assay in rat bone marrow.

  11. 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.)

  12. Global atmospheric budget of simple monocyclic aromatic compounds

    Science.gov (United States)

    Cabrera-Perez, David; Taraborrelli, Domenico; Sander, Rolf; Pozzer, Andrea

    2016-06-01

    The global atmospheric budget and distribution of monocyclic aromatic compounds is estimated, using an atmospheric chemistry general circulation model. Simulation results are evaluated with an ensemble of surface and aircraft observations with the goal of understanding emission, production and removal of these compounds.Anthropogenic emissions provided by the RCP database represent the largest source of aromatics in the model (≃ 23 TgC year-1) and biomass burning from the GFAS inventory the second largest (≃ 5 TgC year-1). The simulated chemical production of aromatics accounts for ≃ 5 TgC year-1. The atmospheric burden of aromatics sums up to 0.3 TgC. The main removal process of aromatics is photochemical decomposition (≃ 27 TgC year-1), while wet and dry deposition are responsible for a removal of ≃ 4 TgC year-1.Simulated mixing ratios at the surface and elsewhere in the troposphere show good spatial and temporal agreement with the observations for benzene, although the model generally underestimates mixing ratios. Toluene is generally well reproduced by the model at the surface, but mixing ratios in the free troposphere are underestimated. Finally, larger discrepancies are found for xylenes: surface mixing ratios are not only overestimated but also a low temporal correlation is found with respect to in situ observations.

  13. Impact of dietary aromatic amino acids on osteoclastic activity.

    Science.gov (United States)

    Refaey, Mona El; Zhong, Qing; Ding, Ke-Hong; Shi, Xing-Ming; Xu, Jianrui; Bollag, Wendy B; Hill, William D; Chutkan, Norman; Robbins, Richard; Nadeau, Hugh; Johnson, Maribeth; Hamrick, Mark W; Isales, Carlos M

    2014-08-01

    We had shown that aromatic amino acid (phenylalanine, tyrosine, and tryptophan) supplementation prevented bone loss in an aging C57BL/6 mice model. In vivo results from the markers of bone breakdown suggested an inhibition of osteoclastic activity or differentiation. To assess osteoclastic differentiation, we examined the effects of aromatic amino acids on early /structural markers as vitronectin receptor, calcitonin receptor, and carbonic anhydrase II as well as, late/functional differentiation markers; cathepsin K and matrix metalloproteinase 9 (MMP-9). Our data demonstrate that the aromatic amino acids down-regulated early and late osteoclastic differentiation markers as measured by real time PCR. Our data also suggest a link between the vitronectin receptor and the secreted cathepsin K that both showed consistent effects to the aromatic amino acid treatment. However, the non-attachment related proteins, calcitonin receptor, and carbonic anhydrase II, demonstrated less consistent effects in response to treatment. Our data are consistent with aromatic amino acids down-regulating osteoclastic differentiation by suppressing remodeling gene expression thus contributing initially to the net increase in bone mass seen in vivo.

  14. Distributions of polycyclic aromatic hydrocarbons and alkylated polycyclic aromatic hydrocarbons in Osaka Bay, Japan.

    Science.gov (United States)

    Miki, Shizuho; Uno, Seiichi; Ito, Kazuki; Koyama, Jiro; Tanaka, Hiroyuki

    2014-08-30

    Contaminations in sediments by polycyclic aromatic hydrocarbons (PAHs) and alkylated PAHs were investigated at 44 sites in Osaka Bay, Japan. Concentrations of total PAHs and alkylated PAHs were in the range 6.40-7800 ng/g dry weights and 13.7-1700 ng/g dry weights, respectively. The PAH concentrations tended to be higher along the shoreline in the vicinities of big ports, industrialized areas, and densely populated regions such as the cities of Osaka and Kobe. The major sources appeared to be pyrogenic or both pyrogenic and petrogenic at most of the sites. PAH concentrations were remarkably high at a site near Kobe, where the concentrations of dibenzo(a,h)anthracene and benzo(g,h,i)perylene exceeded the effects-range-medium concentration and eight PAHs were above the corresponding effects-range-low concentrations. Those PAHs may have been derived from the great fire associated with the large earthquake in 1995.

  15. Environmental Behaviors and Toxicities of Polycyclic Aromatic Hydrocarbons and Nitropolycyclic Aromatic Hydrocarbons.

    Science.gov (United States)

    Hayakawa, Kazuichi

    2016-01-01

    Airborne particulate matter (PM) has been collected at four cities in Japan starting in the late 1990s, at five or more major cities in China, Korea and Russia starting in 2001 and at the Noto Peninsula starting in 2004. Nine polycyclic aromatic hydrocarbons (PAHs) and eleven nitropolycyclic aromatic hydrocarbons (NPAHs) were determined by HPLC with fluorescence and chemiluminescence detections, respectively. Annual concentrations of PAHs and NPAHs were in the order, China>Russia≫Korea=Japan, with seasonal change (winter>summer). During the observation period, concentrations of PAHs and NPAHs in Japanese cities significantly decreased but the increases in the PAH concentration were observed in Chinese and Russian cities. Concentrations of PAHs and NPAHs were higher in the Northern China than those in the Southern China. At the Noto peninsula, which is in the main path of winter northwest winds and a year-round jet stream that blow from the Asian continent to Japan, the concentrations were high in winter and low in summer every year. A cluster analysis and back trajectory analysis indicated that PAHs and NPAHs were long-range transported from Northeastern China, where coal burning systems such as coal-heating boilers are considered to be the major contributors of PAHs and NPAHs. A dramatic change in atmospheric concentrations of PAHs and NPAHs in East Asia suggests the rapid and large change of PM2.5 pollution in East Asia. Considering the adverse health effects of PM2.5, continuous monitoring of atmospheric PAHs and NPAHs is necessary in this area.

  16. Aromatic claw: A new fold with high aromatic content that evades structural prediction.

    Science.gov (United States)

    Sachleben, Joseph R; Adhikari, Aashish N; Gawlak, Grzegorz; Hoey, Robert J; Liu, Gaohua; Joachimiak, Andrzej; Montelione, Gaetano T; Sosnick, Tobin R; Koide, Shohei

    2017-02-01

    We determined the NMR structure of a highly aromatic (13%) protein of unknown function, Aq1974 from Aquifex aeolicus (PDB ID: 5SYQ). The unusual sequence of this protein has a tryptophan content five times the normal (six tryptophan residues of 114 or 5.2% while the average tryptophan content is 1.0%) with the tryptophans occurring in a WXW motif. It has no detectable sequence homology with known protein structures. Although its NMR spectrum suggested that the protein was rich in β-sheet, upon resonance assignment and solution structure determination, the protein was found to be primarily α-helical with a small two-stranded β-sheet with a novel fold that we have termed an Aromatic Claw. As this fold was previously unknown and the sequence unique, we submitted the sequence to CASP10 as a target for blind structural prediction. At the end of the competition, the sequence was classified a hard template based model; the structural relationship between the template and the experimental structure was small and the predictions all failed to predict the structure. CSRosetta was found to predict the secondary structure and its packing; however, it was found that there was little correlation between CSRosetta score and the RMSD between the CSRosetta structure and the NMR determined one. This work demonstrates that even in relatively small proteins, we do not yet have the capacity to accurately predict the fold for all primary sequences. The experimental discovery of new folds helps guide the improvement of structural prediction methods.

  17. Linkage of Aromatic Ring Structures in Saturates, Aromatics, Resins and Asphaltenes Fractions of Vacuum Residues Determined by Collision-Induced Dissociation Technology

    Institute of Scientific and Technical Information of China (English)

    Wang Wei; Liu Yingrong; Liu Zelong; Hou Huandi; Tian Songbai

    2016-01-01

    The linkage of aromatic ring structures in vacuum residues was important for the reifning process. The Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) combined with collision-induced dissociation (CID) is a powerful method to characterize the molecular structure of petroleum fractions. In this work, model compounds with differ-ent aromatic ring structures were measured by CID FT-ICR MS. The cracking of the parent ions and the generated fragment ions were able to distinguish different linkage of the model compounds. Then, vacuum residues were separated into saturates, aromat-ics, resins and asphaltenes fractions (SARA), and each fraction was characterized by CID technology. According to the experi-mental results, the aromatic rings in saturates and aromatics fractions were mainly of the island-type structures, while the aromatic rings in resins and asphaltenes fractions had a signiifcant amount of archipelago-type structures.

  18. Comparison of antimicrobial activity of nuclear-substituted aromatic esters of 5-dimethylamino-1-phenyl-3-pentanol and 3-dimethylamino-1-phenyl-1-propanol with related cyclic analogs.

    Science.gov (United States)

    Dimmock, J R; Qureshi, A M; Noble, L M; Smith, P J; Baker, H A

    1976-01-01

    A series of six aromatic esters of both 5-dimethyl-amino-1-phenyl-3-pentanol and 3-dimethylamino-1-(2-phenylcyclohexyl)-1-propanol was prepared. Antimicrobial evaluation showed that the cyclic analogs had approximately twice the activity of the open chain series; in particular, the o-chlorophenyl ester showed pronounced activity against three pathogenic fungi at approximately 10 ppm. Aromatic esters of 3-dimethylamino-1-phenyl-1-propanol were prepared and demonstrated lower activity than two esters of 2-dimethylamino-1-phenylcyclohexanol. The screening results showed that the best activity was found when a dimethylene chain was present between the phenyl ring and the carbon atom bearing the acyloxy function and that the cyclic derivatives were more active than their more flexible counterparts.

  19. Towards novel adsorptive nanomaterials: Synthesis of Co2+Mo6+ LDH for sulfur and aromatic removal from crude petrolatum

    Directory of Open Access Journals (Sweden)

    Mohsen S. Mostafa

    2016-06-01

    Full Text Available In the present work Co/Mo(CO32−-LDH material of highly energetic surface was prepared by controlled titration of ammonium carbonate and ammonium hydroxide against Co and Mo cations at elevated temperatures, while different analytical techniques were applied to proof the chemical constitution and surface features of the material as XPS (X-ray Photoelectric Spectroscopy in addition to XRF metal analysis, FT-IR, SEM, XRD, DSC-TGA and N2 adsorption–desorption isotherm. The highly energetic surface due to formation of 4+ surface charge in the brucite layer between Co and Mo as confirmed by XPS was practically ensured when the freshly prepared Co2+Mo6+-LDH dried at 60 °C overnight without any activation has been applied as a novel adsorbent for the removal of the undesirable compounds (sulfur and aromatics compounds from crude waxes. Suez crude petrolatum has been used during this study. Depending on the experimental data, we were successful to prepare a new type of LDHs showed high ability for removing the undesirable compounds (sulfur and aromatics from Suez crude petrolatum. Also, in the same trend it removed low melting waxes. This leads to isolation of microcrystalline waxes from petroleum wastes which used as a lubricant, rust preventive, in the manufacture of cosmetics, and in medicine as a protective dressing, emollient, and in a lot of industrial applications.

  20. FUNGICIDAL PROPERTIES OF ARTEMISIA AROMATIC PLANTS TOWARDS FUSARIUM OXYSPORUM

    Directory of Open Access Journals (Sweden)

    Ivashchenko Iryna Vіctorovna

    2015-08-01

    , from which four substances such as rutin, luteolin-7-glycoside, apigenin-7-glycoside and isochlorogenic acid have been identified. The dominant compounds of ethereal oil of Artemisia maritima are α-thujone (41.59 % and camphor (23.56 %. Obviously, the fungicidal properties of plants are conditioned by the quantitative and qualitative content of biologically active substances – ethereal oils, fenolic compounds and other matters. The paper draws attention to the prospects of the further more detailed study of extracts of aromatic plants of the genus Artemisia with the aim of producing antibacterial and antifungal herbal preparations.

  1. Does oligomerization in fused thiophene affect reactivity and aromaticity?

    Indian Academy of Sciences (India)

    Siddhartha Kr Purkayastha; Pradip Kr Bhattacharyya

    2016-02-01

    Reactivity and aromaticity of a few fused thiophene oligomers and their conformers are discussed in the light of density functional theory (DFT) and conceptual density functional theory. Reactivity parameters, such as hardness () and electrophilicity (), chemical potential () and energy of the HOMO (highest occupied molecular orbital) have been studied. Oligomerization raises the HOMO of the species, which in turn increases the reactivity of the oligomers. The absorption spectra of the species are analysed using TDDFT (time dependent density functional theory). The absorption peaks show red shift with increasing size of the oligomers. Aromaticity of the species is gauged by nucleus independent chemical shift (NICS). The out-of-plane component, (NICSzz) values advocate higher aromatic character at longer distance whereas, NICS supports the reverse.

  2. Calculations of proton chemical shifts in olefins and aromatics

    CERN Document Server

    Escrihuela, M C

    2000-01-01

    induced reagents on alpha,beta unsaturated ketones has also been investigated in order to deduce molecular structures and to obtain the assignment of the spectra of these molecules. A semi-empirical calculation of the partial atomic charges in organic compounds based on molecular dipole moments (CHARGE3) was developed into a model capable of predicting proton chemical shifts in a wide variety of organic compounds to a reasonable degree of accuracy. The model has been modified to include condensed aromatic hydrocarbons and substituted benzenes, alkenes, halo-monosubstituted benzenes and halo-alkenes. Within the aromatic compounds the influence of the pi electron densities and the ring current have been investigated, along with the alpha, beta and gamma effects. The model gives the first accurate calculation of the proton chemical shifts of condensed aromatic compounds and the proton substituent chemical shifts (SCS) in the benzene ring. For the data set of 55 proton chemical shifts spanning 3 ppm the rms error...

  3. Theoretical Estimate of Hydride Affinities of Aromatic Carbonyl Compounds

    Institute of Scientific and Technical Information of China (English)

    AI Teng; ZHU Xiao-Qing; CHENG Jin-Pei

    2003-01-01

    @@ Aromatic carbonyl compounds are one type of the most important organic compounds, and the reductions ofthem by hydride agents such as LiAlH4 or NaBH4 are widely used in organic synthesis. The reactivity of carbonyl compounds generally increases in the following order: ketone < aldehyde, and amide < acid < ester < acid halide, which could be related to their hydride affinities (HA). In the previous paper, Robert[1] calculated the absolute HAof a series of small non-aromatic carbonyl compounds. In this paper, we use DFT method at B3LYP/6-311 + + G (2d, 2p)∥B3LYP/6-31 + G* level to estimate hydride affinities of five groups of aromatic carbonyl compounds. The detailed results are listed in Table 1.

  4. The Nature of Intermolecular Interactions Between Aromatic Amino Acid Residues

    Energy Technology Data Exchange (ETDEWEB)

    Gervasio, Francesco; Chelli, Riccardo; Procacci, Piero; Schettino, Vincenzo

    2002-05-01

    The nature of intermolecular interactions between aromatic amino acid residues has been investigated by a combination of molecular dynamics and ab initio methods. The potential energy surface of various interacting pairs, including tryptophan, phenilalanine, and tyrosine, was scanned for determining all the relevant local minima by a combined molecular dynamics and conjugate gradient methodology with the AMBER force field. For each of these minima, single-point correlated ab initio calculations of the binding energy were performed. The agreement between empirical force field and ab initio binding energies of the minimum energy structures is excellent. Aromatic-aromatic interactions can be rationalized on the basis of electrostatic and van der Waals interactions, whereas charge transfer or polarization phenomena are small for all intermolecular complexes and, particularly, for stacked structures.

  5. Development of Multi-Membrane Near-Infrared Diode Mass Spectrometer for Field Analysis of Aromatic Hydrocarbons

    Science.gov (United States)

    Mach, Phillip M.; Wright, Kenneth C.; Verbeck, Guido F.

    2015-02-01

    Membrane Inlet Mass Spectrometry (MIMS) is a technique that incorporates a semi-permeable membrane selective for differing organic molecules and chemistries. This eliminates the need for time-consuming sample preparation and facilitates near instantaneous analysis. This study will examine how the front end of MIMS incorporates three dual inlet ports, allowing for differing MIMS materials and selectivity for specific environments. Polydimethylsiloxane (PDMS) membranes have proven to be selective of benzene, toluene, and xylene (BTX) as well as aromatic hydrocarbons that are common in petroleum products while remaining selective against the aliphatic chains. PDMS has proven to be a successful choice of membrane with high permeability in atmospheric environments. In addition, polycyclic aromatic hydrocarbons (PAHs) such as acenaphthene, acenapthylene, naphthalene, and fluorene have recently been detected to the 5 ppb level in a nitrogen atmosphere with our current configuration. This preliminary work provides proof of concept using near-infrared laser diodes that act upon the membrane to increase its permeability and provide higher sensitivity of aromatic samples.

  6. Application of mesoporous carbon as a solid-phase microextraction fiber coating for the extraction of volatile aromatic compounds.

    Science.gov (United States)

    Zhang, Xi; Zang, Xiaohuan; Zhang, Guijiang; Wang, Chun; Wang, Zhi

    2015-08-01

    A mesoporous carbon was fabricated using MCM-41 as a template and sucrose as a carbon source. The carbon material was coated on stainless-steel wires by using the sol-gel technique. The prepared solid-phase microextraction fiber was used for the extraction of five volatile aromatic compounds (chlorobenzene, ethylbenzene, o-xylene, bromobenzene, and 4-chlorotoluene) from tea beverage samples (red tea and green tea) prior to gas chromatography with mass spectrometric detection. The main experimental parameters affecting the extraction of the volatile aromatic compounds by the fiber, including the extraction time, sample volume, extraction temperature, salt addition, and desorption conditions, were investigated. The linearity was observed in the range from 0.1 to 10.0 μg/L with the correlation coefficients (r) ranging from 0.9923 to 0.9982 and the limits of detection were less than 10.0 ng/L. The recoveries of the volatile aromatic compounds by the method from tea beverage samples at spiking levels of 1.0 and 10.0 μg/L ranged from 73.1 to 99.1%.

  7. PTR-MS Characterization of VOCs Associated with Commercial Aromatic Bakery Yeasts of Wine and Beer Origin

    Directory of Open Access Journals (Sweden)

    Vittorio Capozzi

    2016-04-01

    Full Text Available In light of the increasing attention towards “green” solutions to improve food quality, the use of aromatic-enhancing microorganisms offers the advantage to be a natural and sustainable solution that did not negatively influence the list of ingredients. In this study, we characterize, for the first time, volatile organic compounds (VOCs associated with aromatic bakery yeasts. Three commercial bakery starter cultures, respectively formulated with three Saccharomyces cerevisiae strains, isolated from white wine, red wine, and beer, were monitored by a proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS, a direct injection analytical technique for detecting volatile organic compounds with high sensitivity (VOCs. Two ethanol-related peaks (m/z 65.059 and 75.080 described qualitative differences in fermentative performances. The release of compounds associated to the peaks at m/z 89.059, m/z 103.075, and m/z 117.093, tentatively identified as acetoin and esters, are coherent with claimed flavor properties of the investigated strains. We propose these mass peaks and their related fragments as biomarkers to optimize the aromatic performances of commercial preparations and for the rapid massive screening of yeast collections.

  8. Rendering graphene supports hydrophilic with non-covalent aromatic functionalization for transmission electron microscopy

    Science.gov (United States)

    Pantelic, Radosav S.; Fu, Wangyang; Schoenenberger, Christian; Stahlberg, Henning

    2014-03-01

    Amorphous carbon films have been routinely used to enhance the preparation of frozen-hydrated samples for transmission electron microscopy (TEM), either in retaining protein concentration, providing mechanical stability or dissipating sample charge. However, strong background signal from the amorphous carbon support obstructs that of the sample, and the insulating properties of thin amorphous carbon films preclude any efficiency in dispersing charge. Graphene addresses the limitations of amorphous carbon. Graphene is a crystalline material with virtually no phase or amplitude contrast and unparalleled, high electrical carrier mobility. However, the hydrophobic properties of graphene have prevented its routine application in Cryo-TEM. This Letter reports a method for rendering graphene TEM supports hydrophilic—a convenient approach maintaining graphene's structural and electrical properties based on non-covalent, aromatic functionalization.

  9. Curing Study of Epoxy/clay Nanocomposite by a New Aromatic Diamine Functional Curing Agent

    Directory of Open Access Journals (Sweden)

    Seyed Mahdi Saadati

    2013-12-01

    Full Text Available The curing behavior of an epoxy/clay nanocomposite system composed of diglycidyl ether of bisphenol A (DGEBA epoxy resin with a new aromatic diamine curing agent and organically modified clay was investigated. Epoxy/clay nanocomposite samples were prepared by mixing DGEBA, different percentages of nanoclay (1, 3, 5, 7, and 9% and 4-(4-(2,6-diphenylpyridin-4-ylphenoxybenzene-1,3-diamine (DAP. The optimum ratio of the epoxy/clay nanocomposite system (3% was investigated by total enthalpy of the curing reaction from differential scanning calorimetry (DSC thermograms. The kinetic parameters such as activation energy, pre-exponential factor, and rate constant were obtained from DSC data.

  10. Studies on the adsorption of sulfo-group-containing aromatics by chitosan-β-cyclodextrin.

    Science.gov (United States)

    Shi, Wenjian; Chen, Shuwei; Chang, Fei; Han, Yue; Zhang, Yuanzhang

    2012-01-01

    Chitosan-β-cyclodextrin (CTS-CD) prepared through a crosslinking reaction between chitosan and β-cyclodextrin was employed to adsorb the three following sulfo-group-containing aromatics: disodium 2-naphthol-3,6-disulfonate (R salt), 2-naphthalene sulfonic acid (NSA), and sodium dodecylbenzene sulfonate (SDBS). At 318 K, the saturated adsorption capacity of CTS-CD for R salt, NSA, and SDBS was 431, 416, and 376 mg/g, respectively. The experimental data fitted the second-order model well and the rate constant of the adsorption increased with the temperature increment. The values of apparent activation energy for R salt, NSA, and SDBS were calculated as 33.2, 34.2, and 16.8 kJ/mol respectively. The isothermal adsorption was found following the Langmuir adsorption equation. The negative values of ΔG and the positive values of ΔH indicated that the adsorption process was spontaneous and exothermic.

  11. Binding of polycyclic aromatic hydrocarbons by size classes of particulate in Hamilton Harbor water

    Energy Technology Data Exchange (ETDEWEB)

    Leppard, G.G. [National Water Research Inst., Burlington, Ontario (Canada). Aquatic Ecosystem Protection Branch]|[McMaster Univ., Hamilton, Ontario (Canada). Dept. of Biology; Flannigan, D.T. [McMaster Univ., Hamilton, Ontario (Canada). Dept. of Biology; Mavrocordatos, D. [McMaster Univ., Hamilton, Ontario (Canada). Dept. of Biology]|[Univ. of Lausanne (Switzerland). Dept. of Chemistry; Marvin, C.H. [McMaster Univ., Hamilton, Ontario (Canada). Dept. of Chemistry]|[Agriculture and Agri-Food Canada, Vineland Station Ontario (Canada). Pest Management Research Centre; Bryant, D.W.; McCarry, B.E. [McMaster Univ., Hamilton, Ontario (Canada)

    1998-11-15

    In aquatic systems there is considerable transport of organic contaminants on suspended particles that act as carriers and influence the redistribution, bioavailability, and ultimate fate of contaminants. Using methodology not previously applied to the analysis of lake water, the authors demonstrate that polycyclic aromatic hydrocarbons (PAH) in Hamilton Harbor are predominantly sorbed to suspended flocs. Techniques employed were as follows: (i) differential cascade sedimentation and centrifugation to separate suspended particles; (ii) scanning transmission electron microscopy and energy-dispersive spectroscopy to identify flocs and individual particles in the size range of 10{sup {minus}3}--10{sup 3} {micro}m; (iii) gas chromatography-mass spectrometry to identify PAH in extracts prepared from size classes. Heterogeneous flocs larger than 20 {micro}m accounted for roughly 98% of phenanthrene binding, 89% of fluoranthene binding, and 85% of pyrene binding.

  12. Selective side-chain oxidation of alkyl aromatic compounds catalyzed by cerium modified silver catalysts

    DEFF Research Database (Denmark)

    Beier, Matthias Josef; Schimmoeller, Bjoern; Hansen, Thomas Willum

    2010-01-01

    an elevated pressure was required. Carboxylic acids, such as benzoic acid or p-toluic acid, additionally increased the reaction rate while CeO2 could act both as a promoter and an inhibitor depending on the substrate and the reaction conditions. Silver catalysts were prepared both by standard impregnation......Silver supported on silica effectively catalyzes the aerobic side-chain oxidation of alkyl aromatic compounds under solvent-free conditions. Toluene, p-xylene, ethylbenzene and cumene were investigated as model substrates. Typically, the reaction was performed at ambient pressure; only for toluene...... and flame spray pyrolysis. Addition of a Ce precursor to the FSP catalyst resulted in significantly smaller silver particles. Ce-doped FSP catalysts in general exhibited a superior catalytic performance with TONs up to 2000 except for cumene oxidation that appeared to proceed mainly by homogeneous catalysis...

  13. Study on Removing Trace Olefins in Aromatic Hydrocarbons with HPMo-loaded Y Zeolites

    Institute of Scientific and Technical Information of China (English)

    Jiang Zhenghong; Zeng Haiping; Shi Li

    2008-01-01

    HPMo-loaded Y-zeolites were prepared for the removal of trace olefins from aromatic hydrocarbons.The temperature of calcination and the proportion of phospho-molybdic acid in the catalyst were studied. The catalytic activity for olefins removal and the service life of the catalyst were tested in a fixed bed microreactor. The results showed that the catalyst containing 3% phospho-molybdic acid, which was calcined at 550℃,demonstrated the best activity for olefins removal. The catalyst could be regenerated and could perform still very well. Catalyst characterization was performed by XRD and measured by pyridine-FTIR spectrometry. The test results indicated that the activity of the catalyst was related with the effect of acid concentration and acid strength. Besides, the deactivation of the catalyst was associated with the formation of coke deposits and the deactivated catalyst could recover its activity by oxidation with air under a proper temperature.

  14. Polycyclic aromatic hydrocarbons (PAHs) in bio-crudes from induction-heating pyrolysis of biomass wastes.

    Science.gov (United States)

    Tsai, Wen-Tien; Mi, Hsiao-Hsuan; Chang, Yuan-Ming; Yang, Shyh-Yu; Chang, Jeng-Hung

    2007-03-01

    The aim of this work was to prepare the bio-crudes from agricultural wastes (i.e., rice straw, rice husk, sugarcane bagasse and coconut shell) by using induction-heating pyrolysis at specified conditions. The quantitative analysis of 21 priority pollutant polycyclic aromatic hydrocarbons (PAHs) in bio-crudes examined using gas chromatography/mass spectrometry (GC/MS) revealed that the PAHs in bio-crudes were primarily dominant in the low molecular weight (LMW) PAHs, including naphthalene (1.10-2.45 mg/L) and acenaphthene (0.72-7.61 mg/L). However, by considering carcinogenic potency, the bio-crudes from rice husk and sugarcane bagasse contained higher contents of benzo[a]pyrene (BaP) (0.52 and 0.92 mg/L, respectively) as compared to those from rice straw and coconut shell.

  15. Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light.

    Science.gov (United States)

    Li, Ao; White, Jessica K; Arora, Karan; Herroon, Mackenzie K; Martin, Philip D; Schlegel, H Bernhard; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J

    2016-01-04

    Three complexes of the general formula [Ru(TPA)L2](PF6)2 [TPA = tris(2-pyridylmethyl)amine], where L = pyridine (1), nicotinamide (2), and imidazole (3), were prepared and characterized spectroscopically. X-ray crystallographic data were obtained for 1 and 3. Complexes 1-3 show strong absorption in the visible region and selective release of heterocycles upon irradiation with visible light. Time-dependent density functional theory calculations are consistent with the presence of singlet metal-to-ligand charge-transfer bands in the visible region in 1-3. Caged heterocycles 1-3 are highly stable in solution in the dark, including in cell growth media. Cell viability data show no signs of toxicity of 1-3 against PC-3 cells at concentrations up to 100 μM under light and dark conditions, consistent with Ru(TPA) acting as a nontoxic and effective photocaging group for aromatic heterocycles.

  16. Qualitative TLC determination of some polycyclic aromatic hydrocarbons in sugar-beet

    Directory of Open Access Journals (Sweden)

    BILJANA D. SKRBIC

    2005-10-01

    Full Text Available The presence of polycyclic or polynuclear aromatic hydrocarbons (PAHs were investigated in sugar-beet from a local sugar factory in the district of Vojvodina. The sugar-beet was cultivated on areas near roads with intensive traffic. The procedure for the preparation and determination of these compounds included saponification of the sample, several liquid–liquid extraction systems and a silica gel column clean-up. The purified sample solution was analysed by thin layer chromatography (TLC on silica gel with cyclohexane as the developing solvent. Benzo(bfluoranthene and benzo(aanthracene and/or benzo(apyrene were detected at concentrations greater than the allowed limits in food.

  17. SULFUR-RESISTANT BIMETALLIC NOBLE METAL CATALYSTS FOR AROMATIC HYDROGENATION OF DIESEL FUEL

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Y zeolite supporting noble metal catalysts, as the important industrial catalysts for aromatics hydrogenation, have received increasing attention in recent years. Pd-M/Y bimetallic catalysts, where M is non-noble metal element, were prepared to investigate the effects of the addition of a second metal. Pd-M/Y catalysts were evaluated under the following conditions: H2 pressure 4.2 MPa, MHSV 4.0 h-1, sulfur content in feed 3000 μg/g. The microreactor results indicated that the second metal remarkably affects the hydrogenation activity of Pd/Y catalysts. Among them, Cr and W improve the sulfur resistance of Pd/Y, but La, Mn, Mo and Ag make the sulfur resistance worse and the second metals have no evident influence on product selectivity and acidic properties of the catalysts.

  18. Electrical and Mechanical Properties of the Dielectric Capacitor Film Based on Polyvinylidene Fluoride and Aromatic Polythiourea

    Science.gov (United States)

    Li, Ya; Fu, Qiong; Li, Lili; Li, Weiping

    2016-10-01

    To obtain the flexible dielectric material suitable for mass produced supercapacitor, blend films based on polyvinylidene fluoride (PVDF) and aromatic polythiourea (ArPTU) were prepared by solution casting. We found that the PVDF/ArPTU blend film is a good energy storage material for capacitors with high breakdown strength and low loss at high filed. The breakdown field of PVDF/ArPTU (90/10) film is more than 700 MV/m, and the maximum released energy density is up to 11 J/cm3 with discharging efficiency above 80%. We also proved that the mechanical property of blend films is much better than that of pure ArPTU film, and the toughness and softness are close to the level of PVDF film. The blend film based on PVDF and ArPTU is a flexible dielectric material in the manufacture of supercapacitor.

  19. Metallo-deuteroporphyrin as a biomimetic catalyst for the catalytic oxidation of lignin to aromatics.

    Science.gov (United States)

    Zhu, Chenjie; Ding, Weiwei; Shen, Tao; Tang, Chenglun; Sun, Chenguo; Xu, Shichao; Chen, Yong; Wu, Jinglan; Ying, Hanjie

    2015-05-22

    A series of metallo-deuteroporphyrins derived from hemin were prepared as models of the cytochrome P450 enzyme. With the aid of the highly active Co(II) deuteroporphyrin complex, the catalytic oxidation system was applied for the oxidation of several lignin model compounds, and high yields of monomeric products were obtained under mild reaction conditions. It was found that the modified cobalt deuteroporphyrin that has no substituents at the meso sites but does have the disulfide linkage in the propionate side chains at the β sites exhibited much higher activity and stability than the synthetic tetraphenylporphyrin. The changes in the propionate side chains can divert the reactivity of cobalt deuteroporphyrins from the typical CC bond cleavage to CO bond cleavage. Furthermore, this novel oxidative system can convert enzymolysis lignin into depolymerized products including a significant portion of well-defined aromatic monomers.

  20. Rendering graphene supports hydrophilic with non-covalent aromatic functionalization for transmission electron microscopy

    CERN Document Server

    Pantelic, Radosav S; Schoenenberger, Christian; Stahlberg, Henning

    2014-01-01

    Amorphous carbon films have been routinely used to enhance the preparation of frozen-hydrated transmission electron microscopy (TEM) samples, either in retaining protein concentration, providing mechanical stability or dissipating sample charge. However, strong background signal from the amorphous carbon support obstructs that of the sample, and the insulating properties of amorphous carbon films preclude any efficiency in dispersing charge. Graphene addresses the limitations of amorphous carbon. Graphene is a crystalline material with virtually no phase or amplitude contrast and unparalleled, high electrical carrier mobility. However, the hydrophobic properties of graphene have prevented its routine application in Cryo-TEM. This letter reports a method for rendering graphene TEM supports hydrophilic - a convenient approach maintaining graphene's structural and electrical properties based on non-covalent, aromatic functionalization.

  1. Preparation of Ionic Liquids and Their Application in Hydrogenation of Aromatic Nitriles

    Institute of Scientific and Technical Information of China (English)

    LIN,Qi; CHEN,Li; XIE,Yi-Peng; ZHENG,Hong-Jie; LI,Xian-Jun; CHEN,Hua

    2004-01-01

    @@ On the basis of their characteristic polar nature, phase behavior and lack of vapour pressure, ionic liquids are considered as green solvents and have attracted significant attention as an alternative reaction medium for homogeneous catalysis.[1] However, the "greenness" of typical ionic liquids used in the literature consisted of halogen-containing anions (such as [AlCl4]-, [BF4]- and [PF6]-) was limited in some sense, due to the serious environment concerns if the hydrolysis stability of the anion is poor (e.g. for [AlCl4]-and [PF6]-) or thermal stability of used ionic liquid is undesired. In both cases, the additional effort is needed to avoid the liberation of toxic and corrosive HF or HCl into the environment.

  2. Preparation and Characterization of Aromatic Polybenzoxazoles Copolymers Containing 2,6-Naphthalene Units

    Institute of Scientific and Technical Information of China (English)

    LI Lei; FAN Xing-he; ZHAO Xiao-dong; ZHOU Jing-lun; CHEN Xiao-fang; WAN Xin-hua; ZHOU Qi-feng

    2004-01-01

    A series of polybenzoxazoles (co)polymers bearing crankshaft units in the main chain was synthesized by the conventional solution polycondensation of 4, 6-diaminorescinol dihydrochloride, terephthalic acid (TA)and 2,6-naphthalene dicarboxylic acid(NDA). All of the polymers show lyotropic liquid crystal behavior in polyphosphoric acid(PPA) and methanesulfonic acid (MSA). The polybenzoxazoles exhibit an excellent thermal resistance although the crankshaft monomer has been introduced into the polymer backbone. The temperature for the 5% weight loss of all the polymers is above 600 ℃. The X-ray diffraction analysis results show that the series of the polymers has a high crystallinity. The introduction of NDA makes a slight decrease in the thermal resistance of the polymers. The maximum absorption peak in the UV-Vis spectra can be adjusted according to the amount of 2,6-naphthalene units in the polymers, which indicates the potential application of the polymers as optoelectric materials.

  3. Classification of Malaysia aromatic rice using multivariate statistical analysis

    Science.gov (United States)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

    2015-05-01

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC-MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  4. Classification of Malaysia aromatic rice using multivariate statistical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A. [School of Mechatronic Engineering, Universiti Malaysia Perlis, Kampus Pauh Putra, 02600 Arau, Perlis (Malaysia); Omar, O. [Malaysian Agriculture Research and Development Institute (MARDI), Persiaran MARDI-UPM, 43400 Serdang, Selangor (Malaysia)

    2015-05-15

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  5. A Novel Approach in Cinnamic Acid Synthesis: Direct Synthesis of Cinnamic Acids from Aromatic Aldehydes and Aliphatic Carboxylic Acids in the Presence of Boron Tribromide

    Directory of Open Access Journals (Sweden)

    M. Onciu

    2005-02-01

    Full Text Available Cinnamic acids have been prepared in moderate to high yields by a new direct synthesis using aromatic aldehydes and aliphatic carboxylic acids, in the presence of boron tribromide as reagent, 4-dimethylaminopyridine (4-DMAP and pyridine (Py as bases and N-methyl-2-pyrolidinone (NMP as solvent, at reflux (180-190°C for 8-12 hours.

  6. Novel high glass temperature sugar-based epoxy resins: Characterization and comparison to mineral oil-based aliphatic and aromatic resins

    OpenAIRE

    Niedermann, P.; G. Szebenyi; A. Toldy

    2015-01-01

    Curing and rheological behaviour, glass transition temperature, mechanical and thermal properties of two newly synthesized glucopyranoside- (GPTE) and glucofuranoside- (GFTE) based renewable epoxy resin (EP) components were investigated and compared to aromatic and aliphatic EPs. The glucose-based EPs can be successfully cured with amine and anhydride type curing agents, their gel times are suitable for processing and can be well-adopted to the needs of the common composite preparation method...

  7. Low toxicity aromatic diamine curing agents for adhesives

    Energy Technology Data Exchange (ETDEWEB)

    Dorsey, G.F.

    1993-08-24

    Increasing severity of regulations for handling of hazardous materials has led to formulation of adhesives with considerably lowered toxicities for use at the Oak Ridge Y-12 Plant. Fundamental was the development of Asilamine aromatic diamines, a family of liquid aromatic diamines useful as substitutes for methylenedianiline (MDA), a widely used adhesives curing agent. The use of Asilamine has allowed us to continue operations without dealing with expensive measures for regulation of MDA as a carcinogen promulgated by the Occupational Safety and Health Administration (OSHA).

  8. Recent Studies on the Aromaticity and Antiaromaticity of Planar Cyclooctatetraene

    Directory of Open Access Journals (Sweden)

    Masahiko Iyoda

    2010-02-01

    Full Text Available Cyclooctatetraene (COT, the first 4nπ-electron system to be studied, adopts an inherently nonplanar tub-shaped geometry of D2d symmetry with alternating single and double bonds, and hence behaves as a nonaromatic polyene rather than an antiaromatic compound. Recently, however, considerable 8π-antiaromatic paratropicity has been shown to be generated in planar COT rings even with the bond alternated D4h structure. In this review, we highlight recent theoretical and experimental studies on the antiaromaticity of hypothetical and actual planar COT. In addition, theoretically predicted triplet aromaticity and stacked aromaticity of planar COT are also briefly described.

  9. Aroma transition from rosemary leaves during aromatization of olive oil

    Directory of Open Access Journals (Sweden)

    Mustafa Yılmazer

    2016-04-01

    Full Text Available The aroma profile of aromatized olive oil was determined in this study. The primary objective was to investigate the transition of major aroma compounds from rosemary and olive fruit during the kneading step of olive oil production by response surface methodology. For this purpose, temperature, time, and amount of rosemary leaves were determined as independent variables. The results indicated that temperature and time did not affect the transition of target compounds, but rosemary leaves addition had a strong influence on transition, especially for characteristic aroma compounds of this herb. Adequacies of developed models were found to be high enough to predict each aromatic component of interest.

  10. New aromatic polyamides and polyimides having an adamantine bulky group

    OpenAIRE

    2015-01-01

    Producción Científica This paper reports the synthesis and characterization of a new rigid diamine monomer, having a spiro carbon moiety and an adamantane bulky group in its structure; namely spiro-(adamantane-2,9′(2',7'-diamino)-fluorene) (SADAF). After its synthesis, using a straightforward methodology, a novel family of aromatic polyimides (PIs) and polyamides (PAs) has been attained by reaction of SADAF with three aromatic dianhydrides and two diacid chlorides, respectively. Two of the...

  11. Development and Application of Heat-integrated Aromatics Fractionation Process

    Institute of Scientific and Technical Information of China (English)

    Yang Weisheng; Kong Dejin; Tan Yongzhong

    2009-01-01

    The PRO/Ⅱ process simulation software was applied to carry out simulated calculation of the aromatics frac-tionation unit and the heat integrated rectification process was proposed for the aromatics fractionation section of the 1.0 Mt/a toluene disproportionation unit at the Zhenhai Refining and Chemical Company. The optimized operating parameters were obtained through the energy utilization analysis, process simulation, heat exchanger calculations and comparisons of utility consumption. The operation of commercialized unit has revealed that the design parameters of each rectification column were consistent with the operation results, and the utility consumption was about 47% lower than the waditional heat integrated process.

  12. Interaction of aromatic molecules with small gold clusters

    Science.gov (United States)

    Molina, Luis M.; López, María. J.; Alonso, Julio A.

    2017-09-01

    Ab initio density functional simulations have been performed to study the adsorption of aromatic molecules (benzene and toluene) on small Aun clusters. The calculations reveal a strong interaction between gold and π electrons of benzene, accompanied by a small electronic charge transfer from benzene to gold. We report a variety of binding conformations, with varying degrees of contact between the carbon atoms in benzene and the cluster. Therefore, the interaction between the aromatic part of molecules involved in the synthesis of fine chemicals catalyzed by gold must not be neglected, and could play an important role during some reaction stages.

  13. Exposure of iron foundry workers to polycyclic aromatic hydrocarbons

    DEFF Research Database (Denmark)

    Omland, Øyvind; Sherson, D; Hansen, Åse Marie

    1994-01-01

    Exposure to polycyclic aromatic hydrocarbons (PAHs) in foundry workers has been evaluated by determination of benzo(a)pyrene-serum albumin adducts and urinary 1-hydroxypyrene. Benzo(a)pyrene binding to albumin and 1-hydroxypyrene were quantitatively measured by enzyme linked immunosorbent assay...... than in smoking and non-smoking controls (0 (0-0.022) and 0 (0-0.010) mumol/mol creatinine). Dose-response relations between total PAH, pyrene, carcinogenic PAHs, and 1-hydroxypyrene for smokers, and polycyclic aromatic hydrocarbons adsorbed to dust for non-smokers are suggested. Exposure to PAHs...

  14. Polycyclic aromatic hydrocarbons in air samples of meat smokehouses

    DEFF Research Database (Denmark)

    Hansen, Åse Marie; Olsen, I L; Poulsen, O M

    1992-01-01

    In a screening programme nine Danish meat smokehouses were randomly selected for measurements on concentration of airborne polycyclic aromatic hydrocarbons (PAH). A total of 23 stationary air samples were collected during the entire working period of the kiln either above the kiln doors or approx......In a screening programme nine Danish meat smokehouses were randomly selected for measurements on concentration of airborne polycyclic aromatic hydrocarbons (PAH). A total of 23 stationary air samples were collected during the entire working period of the kiln either above the kiln doors...

  15. DAR Assisted Layer-by-Layer Assembly of Aromatic Compounds

    Institute of Scientific and Technical Information of China (English)

    姜思光; 陈晓东; 张莉; 刘鸣华

    2003-01-01

    A facile DAR (diphenylamine-4-diazonium-formaldehyde resin)assisted layer-by-layer (LbL) assembly of uitrathin organic film of aromatic compounds has been investigated. The muitilayer of pyrene or anthracene was fabricated through simple dipping of the glass slide into the mixed solution of DAR with the target compounds. In this method, DAR acted as an assistant compound to help the assembling of the aromatic compounds. Such a convenient deposition method not only reserves the advantages of the traditional LbL technique but also simplifies the technique and extends the effectiveness of LbL technique to small molecules without any charge.

  16. Phenylalanyl-Glycyl-Phenylalanine Tripeptide: A Model System for Aromatic-Aromatic Side Chain Interactions in Proteins

    Energy Technology Data Exchange (ETDEWEB)

    Valdes, Haydee; Pluhackova, Kristyna; Hobza, Pavel

    2009-09-08

    The performance of a wide range of quantum chemical calculations for the ab initio study of realistic model systems of aromatic-aromatic side chain interactions in proteins (in particular those π-π interactions occurring between adjacent residues along the protein sequence) is here assessed on the phenylalanyl-glycyl-phenylalanine (FGF) tripeptide. Energies and geometries obtained at different levels of theory are compared with CCSD(T)/CBS benchmark energies and RI-MP2/cc-pVTZ benchmark geometries, respectively. Consequently, a protocol of calculation alternative to the very expensive CCSD(T)/CBS is proposed. In addition to this, the preferred orientation of the Phe aromatic side chains is discussed and compared with previous results on the topic.

  17. The Fabrication of Ga2O3/ZSM-5 Hollow Fibers for Efficient Catalytic Conversion of n-Butane into Light Olefins and Aromatics

    Directory of Open Access Journals (Sweden)

    Jing Han

    2016-01-01

    Full Text Available In this study, the dehydrogenation component of Ga2O3 was introduced into ZSM-5 nanocrystals to prepare Ga2O3/ZSM-5 hollow fiber-based bifunctional catalysts. The physicochemical features of as-prepared catalysts were characterized by means of XRD, BET, SEM, STEM, NH3-TPD, etc., and their performances for the catalytic conversion of n-butane to produce light olefins and aromatics were investigated. The results indicated that a very small amount of gallium can cause a marked enhancement in the catalytic activity of ZSM-5 because of the synergistic effect of the dehydrogenation and aromatization properties of Ga2O3 and the cracking function of ZSM-5. Compared with Ga2O3/ZSM-5 nanoparticles, the unique hierarchical macro-meso-microporosity of the as-prepared hollow fibers can effectively enlarge the bifunctionality by enhancing the accessibility of active sites and the diffusion. Consequently, Ga2O3/ZSM-5 hollow fibers show excellent catalytic conversion of n-butane, with the highest yield of light olefins plus aromatics at 600 °C by 87.6%, which is 56.3%, 24.6%, and 13.3% higher than that of ZSM-5, ZSM-5 zeolite fibers, and Ga2O3/ZSM-5, respectively.

  18. Study on Aromatization of C6 Aliphatic Hydrocarbons on ZRP Zeolite Catalyst

    Institute of Scientific and Technical Information of China (English)

    Wang Yongjun; Xie Chaogang

    2004-01-01

    The performance of ZRP zeolite catalysts for aromatization of C6 aliphatic hydrocarbons was investigated in a pulsed microreactor. The influence of metal modified ZRP zeolites on aromatization reaction was also studied, coupled with comparison of aromatization tendencies of olefins, paraffins and paraffins with different degrees of chain branching. Test results had shown that the lower the silicon/aluminum ratio in the ZRP zeolite, the higher the aromatization reactivity of aliphatic hydrocarbons. Modification of ZRP zeolite by zinc and its zinc content had apparent impact on the yield and distribution of aromatics. The aromatization tendency of olefins was apparently better than paraffins, while the aromatization tendency of monomethyl paraffins was better than that of straight-chain paraffins with the exception of dimethyl paraffins, which had worse aromatization tendency because of their steric hindrance.

  19. Continuous Flow Nucleophilic Aromatic Substitution with Dimethylamine Generated in Situ by Decomposition of DMF

    DEFF Research Database (Denmark)

    Petersen, Trine P; Larsen, Anders Foller; Ritzén, Andreas;

    2013-01-01

    A safe, practical, and scalable continuous flow protocol for the in situ generation of dimethylamine from DMF followed by nucleophilic aromatic substitution of a broad range of aromatic and heteroaromatic halides is reported....

  20. Physicochemical Mechanisms of Synergistic Biological Action of Combinations of Aromatic Heterocyclic Compounds

    Directory of Open Access Journals (Sweden)

    Maxim P. Evstigneev

    2013-01-01

    Full Text Available The mechanisms of synergistic biological effects observed in the simultaneous use of aromatic heterocyclic compounds in combination are reviewed, and the specific biological role of heteroassociation of aromatic molecules is discussed.

  1. Continuous flow nucleophilic aromatic substitution with dimethylamine generated in situ by decomposition of DMF.

    Science.gov (United States)

    Petersen, Trine P; Larsen, Anders Foller; Ritzén, Andreas; Ulven, Trond

    2013-04-19

    A safe, practical, and scalable continuous flow protocol for the in situ generation of dimethylamine from DMF followed by nucleophilic aromatic substitution of a broad range of aromatic and heteroaromatic halides is reported.

  2. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles

    NARCIS (Netherlands)

    Wang, Fang; Haftka, Joris J H; Sinnige, Theo L.; Hermens, Joop L M; Chen, Wei

    2014-01-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and 1,3-dichlorobenz

  3. BIODEGRADATION OF AROMATIC COMPOUNDS UNDER MIXED OXYGEN/DENITRIFYING CONDITIONS: A REVIEW

    Science.gov (United States)

    Bioremediation of aromatic hydrocarbons in groundwater and sediments is often limited by dissolved oxygen. Many aromatic hydrocarbons degrade very slowly or not at all under anaerobic conditions. Nitrate is a good alternative electron acceptor to oxygen, and denitrifying bacteria...

  4. Biotransformation and Biodegradation of N-Substituted Aromatics in Methanogenic Granular Sludge.

    NARCIS (Netherlands)

    Razo Flores, E.

    1997-01-01

    N-substituted aromatic compounds are environmental contaminants associated with the production and use of dyes, explosives, pesticides and pharmaceuticals among others. Nitro- and azo-substituted aromatic compounds with strong electron withdrawing groups are poorly biodegradable in aerobic treatment

  5. Rodent repellent studies. IV. Preparation and properties of trinitrobenzene-aryl amine complexes

    Science.gov (United States)

    DeWitt, J.B.; Bellack, E.; Welch, J.F.

    1953-01-01

    Data are presented on methods of preparation, chemical arid physical characteristics, toxicity, and repellency to rodents of complexes of symmetrical trinitrohenzene with various aromatic amines: When applied in suitable carriers or incorporated in plastic .films, members of this series ofmaterials were shown to offer significant increases in time required by wild rodents to damage common packaging materials.

  6. Occupational exposure to aromatic hydrocarbons and polycyclic aromatic hydrocarbons at a coke plant.

    Science.gov (United States)

    Bieniek, Grażyna; Łusiak, Agnieszka

    2012-08-01

    The objective of this study was to assess the external exposure to aromatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs) of coke-oven workers and by-product workers at a coke plant in Poland. The content of benzene, toluene, xylene, and naphthalene in a gaseous phase and the content of dibenzo[a,h]anthracene, benz[a]anthracene, anthracene, benzo[a]pyrene, benzo[b]fluoranthene, benzo[k]fluoranthene, benz[ghi]perylene, chrysene, and indeno[1,2,3-c,d]pyrene in a particulate phase of coke plant workers were measured in the workers mentioned above. A toxic equivalency factor BaP(eq) was used to estimate human health risk associated with respiratory exposure to PAHs. Time-weighted values of the exposure to AHs in the coke plant were as follows: benzene (range 0.01-2.71 mg m(-3)), toluene (0.01-1.73 mg m(-3)), xylene (0.01-0.78 mg m(-3)), naphthalene (6.0-6079 μg m(-3)), and the concentrations of hydrocarbons did not exceed the exposure limits. The results for particle-bound PAHs were equal to 1.96 μg m(-3) for B(a)P, 0.73 μg m(-3) for DBA, 3.23 μg m(-3) for BaA, 4.35 μg m(-3) for BbF, 3.02 μg m(-3) for BkF, 4.54 μg m(-3) for IND, 4.32 μg m(-3) for CHR, and 0.73 μg m(-3) for Ant. The results of personal air measurements (median values of the sum of nine carcinogenic PAHs) were 2.115 μg m(-3) (coke-oven workers, n = 207), 0.326 μg m(-3) (coke by-product workers, n = 33), and 0.653 μg m(-3) (total area workers, n = 38). The benzo[a]pyrene equivalent concentrations (BaP(eq)) of 10 PAHs were 1.33, 0.183, and 0.284 μg m(-3), respectively. We found out that coke plant workers are simultaneously exposed to a mixture of aromatic and polycyclic hydrocarbons present in the breathing zone air. Exposure levels are significantly influenced by job categories. Coke by-product workers are significantly more exposed to benzene, toluene, and xylene and less to PAHs. Coke-oven workers are mainly exposed to PAHs. Coke-oven workplaces (top side, coke side, and

  7. AROMATIC AND HETEROCYCLIC DINITRILES AND THEIR POLYMERS XIV. STUDY ON THE CATALYSTS OF THE POLYMERIZATION OF AROMATIC NITRILES

    Institute of Scientific and Technical Information of China (English)

    SUN Luying; HUANG Zhitang

    1989-01-01

    Various catalysts for the polymerization ot aromatic nitriles were investigated. It was found that Lewis acid - metal is a preferable catalyst system for the polymerization of aromatic nitriles,and the polymerization rate is about 10 times faster than Lewis acid alone. The polymerization rate of benzonitrile catalyzed by Lewis acid and different metals was measured, and the activity of metals was in the following decreasing order ,magnesium, zinc, sodium, calcium. Furthermore, the polymerization of benzonitrile catalyzed by different Lewis acid and zinc was also investigated.

  8. Structural Analysis of Aromatic Liquid Crystalline Polyesters

    Directory of Open Access Journals (Sweden)

    Arpad Somogyi

    2011-01-01

    Full Text Available Laboratory preparations of liquid crystalline prepolymers, distillates accompanying prepolymers, final polymers, and sublimates accompanying final polymers were examined. NaOD/D2O depolymerization of prepolymers and polymers back to monomers with integration of the 1H NMR spectra showed up to 6% excess of carboxyls over phenol groups, caused partly by loss of the low-boiling comonomer hydroquinone through distillation during prepolymerization and leaving anhydride units in the polymer chain. ESI− MS and MS/MS of hexafluoroisopropanol extracts of the prepolymer detected small molecules including some containing anhydride groups; ESI+ MS showed the presence of small cyclic oligomers. 1H NMR (including TOCSY spectra provided more quantitative analyses of these oligomers. The final polymerization increases the length of the polymer chains and sublimes out the small oligomers. Anhydride linkages remaining in the polymer must make LCP’s more susceptible to degradation by nucleophilic reagents such as water, alkalis, and amines.

  9. Benzylation of Aromatic Compounds with Benzyl Chloride Catalyzed by Nafion/SiO2 Nanocomposite Catalyst

    Institute of Scientific and Technical Information of China (English)

    Kun Guo YANG; Rui Mao HUA; Hai WANG; Bo Qing XU1

    2005-01-01

    In the presence of Nafion/SiO2 nanocomposite catalyst, the benzylation of aromatic compounds with benzyl chloride proceeded to afford diphenylmethane derivatives in high yields.The catalyst showed high catalytic activity not only for electron-rich aromatic compounds, but also for electron-poor aromatic compounds. Under identical conditions, the self-benzylation of benzyl chloride, and dibenzylation and/or multi-benzylation of aromatic compounds were negligible.

  10. Polycyclic aromatic hydrocarbons in soils around Guanting Reservoir, Beijing, China

    NARCIS (Netherlands)

    Jiao, W.T.; Lu, Y.L.; Wang, T.Y.; Li, J.; Han, Jingyi; Wang, G.; Hu, W.Y.

    2009-01-01

    The concentrations of 16 polycyclic aromatic hydrocarbons ( 16PAHs) were measured by gas chromatography equipped with a mass spectrometry detector (GC-MS) in 56 topsoil samples around Guanting Reservior (GTR), which is an important water source for Beijing. Low to medium levels of PAH contamination

  11. Genomic and molecular mechanisms for efficient biodegradation of aromatic dye.

    Science.gov (United States)

    Sun, Su; Xie, Shangxian; Chen, Hu; Cheng, Yanbing; Shi, Yan; Qin, Xing; Dai, Susie Y; Zhang, Xiaoyu; Yuan, Joshua S

    2016-01-25

    Understanding the molecular mechanisms for aromatic compound degradation is crucial for the development of effective bioremediation strategies. We report the discovery of a novel phenomenon for improved degradation of Direct Red 5B azo dye by Irpex lacteus CD2 with lignin as a co-substrate. Transcriptomics analysis was performed to elucidate the molecular mechanisms of aromatic degradation in white rot fungus by comparing dye, lignin, and dye/lignin combined treatments. A full spectrum of lignin degradation peroxidases, oxidases, radical producing enzymes, and other relevant components were up-regulated under DR5B and lignin treatments. Lignin induced genes complemented the DR5B induced genes to provide essential enzymes and redox conditions for aromatic compound degradation. The transcriptomics analysis was further verified by manganese peroxidase (MnP) protein over-expression, as revealed by proteomics, dye decolorization assay by purified MnP and increased hydroxyl radical levels, as indicated by an iron reducing activity assay. Overall, the molecular and genomic mechanisms indicated that effective aromatic polymer degradation requires synergistic enzymes and radical-mediated oxidative reactions to form an effective network of chemical processes. This study will help to guide the development of effective bioremediation and biomass degradation strategies.

  12. Microbial Degradation of Polycyclic Aromatic Hydrocarbons and Characterization of Bacteria

    Science.gov (United States)

    Tikilili, P. V.; Chirwa, E. M. N.

    2010-01-01

    Biodegradation of polycyclic aromatic hydrocarbons was studied. Naphthalene was used as a model compound to represent these compounds. Low initial concentrations of naphthalene in a range of 30-60 mg/L were completely degraded after incubation for 15 hrs by consortia from a landfill soil while consortia from minewater took more that 29 hrs to reach complete degradation.

  13. Aromaticity in Polyacene Analogues of Inorganic Ring Compounds

    CERN Document Server

    Chattaraj, P K; Chattaraj, Pratim Kumar; Roy, Debesh Ranjan

    2006-01-01

    The aromaticity in the polyacene analogues of several inorganic ring compounds (BN-acenes, CN-acenes, BO-acenes and Na6-acenes) is reported here for the first time. Conceptual density functional theory based reactivity descriptors and the nucleus independent chemical shift (NICS) values are used in this analysis.

  14. Reaction of benzoxasilocines with aromatic aldehydes: Synthesis of homopterocarpans

    Directory of Open Access Journals (Sweden)

    Rodríguez-García Ignacio

    2007-02-01

    Full Text Available Abstract Condensation of 2H-benzo[g][1,2]oxasilocines with aromatic aldehydes in the presence of boron trifluoride affords mixtures of cis/trans 2-phenyl-3-vinylchromans with moderate yields. These can be transformed into homopterocarpans, a synthetic group of substances homologous to the natural isoflavonoid pterocarpans.

  15. Aromatic nitrations by mixed acid. Fast liquid-liquid regime

    NARCIS (Netherlands)

    Zaldivar, J.M.; Zaldivar, J.M.; Molga, E.J.; Alos, M.A.; Hernandez, H.; Westerterp, K.R.

    1996-01-01

    Aromatic nitration by mixed acid was selected as a specific case of heterogeneous liquid-liquid reaction. An extensive experimental programme was followed using adiabatic and heat flow calorimetry and pilot reactor experiments, supported by chemical analysis. A series of nitration experiments was

  16. Resonance and Aromaticity : An Ab Initio Valence Bond Approach

    NARCIS (Netherlands)

    Rashid, Zahid; van Lenthe, Joop H.; Havenith, Remco W. A.

    2012-01-01

    Resonance energy is one of the criteria to measure aromaticity. The effect of the use of different orbital models is investigated in the calculated resonance energies of cyclic conjugated hydrocarbons within the framework of the ab initio Valence Bond Self-Consistent Field (VBSCF) method. The VB wav

  17. Bioavailability of Polycyclic Aromatic Hydrocarbons in Soils and Sediments

    NARCIS (Netherlands)

    Cuypers, M.P.

    2001-01-01

    Polycyclic aromatic hydrocarbons (PAHs) constitute a group of priority pollutants which are of increasing environmental concern because of their adverse effects on humans, animals, and plants. Soils and sediments generally serve as a sink for PAHs, which leads to the accumulation of PAHs at contamin

  18. Trace Metals and Volatile Aromatic Hydrocarbon Content of ...

    African Journals Online (AJOL)

    Michael Horsfall

    done with a view to assessing the level of attenuation of this particular group of crude hydrocarbons and the changes. /effects of some trace metals in the impacted soils. The aromatic hydrocarbon ... Nigeria has had its fair share of crude oil pollution. This problem is ... disintegration of natural organometalic plant metabolites.

  19. Biodegradation of Aromatic Hydrocarbons in an Extremely Acidic Environment

    Science.gov (United States)

    Stapleton, Raymond D.; Savage, Dwayne C.; Sayler, Gary S.; Stacey, Gary

    1998-01-01

    The potential for biodegradation of aromatic hydrocarbons was evaluated in soil samples recovered along gradients of both contaminant levels and pH values existing downstream of a long-term coal pile storage basin. pH values for areas greatly impacted by runoff from the storage basin were 2.0. Even at such a reduced pH, the indigenous microbial community was metabolically active, showing the ability to oxidize more than 40% of the parent hydrocarbons, naphthalene and toluene, to carbon dioxide and water. Treatment of the soil samples with cycloheximide inhibited mineralization of the aromatic substrates. DNA hybridization analysis indicated that whole-community nucleic acids recovered from these samples did not hybridize with genes, such as nahA, nahG, nahH, todC1C2, and tomA, that encode common enzymes from neutrophilic bacteria. Since these data suggested that the degradation of aromatic compounds may involve a microbial consortium instead of individual acidophilic bacteria, experiments using microorganisms isolated from these samples were initiated. While no defined mixed cultures were able to evolve 14CO2 from labeled substrates in these mineralization experiments, an undefined mixed culture including a fungus, a yeast, and several bacteria successfully metabolized approximately 27% of supplied naphthalene after 1 week. This study shows that biodegradation of aromatic hydrocarbons can occur in environments with extremely low pH values. PMID:9797263

  20. Integrated Environmental Quality Objectives for Polycyclic Aromatic Hydrocarbons (PAHs)

    NARCIS (Netherlands)

    Kalf DF; Crommentuijn GH; Posthumus R; Plassche EJ van de; ACT

    1995-01-01

    In the present report Maximum Permissible Concentrations (MPCs) are derived for 10 Polycyclic Aromatic Hydrocarbons (PAHs). For the aquatic environment MPCs are derived from the available experimental data. For 3 PAHs no experimental data are available. These MPCs are calculated using the QSAR-appro

  1. Iodine, a Mild Reagent for the Aromatization of Terpenoids.

    Science.gov (United States)

    Domingo, Victoriano; Prieto, Consuelo; Silva, Lucia; Rodilla, Jesús M L; Quílez del Moral, José F; Barrero, Alejandro F

    2016-04-22

    Efficient procedures based on the use of iodine for the aromatization of a series of terpenoids possessing diene and homoallylic or allylic alcohol functionalities are described. Different examples are reported as a proof-of-concept study. Furthermore, iodine also proved to mediate the dehydrogenation of testosterone.

  2. The formation of polycyclic aromatic hydrocarbons in evolved circumstellar environments

    CERN Document Server

    Cherchneff, Isabelle

    2010-01-01

    The formation of Polycyclic Aromatic Hydrocarbons in the circumstellar outflows of evolved stars is reviewed, with an emphasis on carbon stars on the Asymptotic Giant Branch. Evidence for PAHs present in their winds is provided by meteoritic studies and recent observations of the Unidentified Infrared bands. We detail the chemical processes leading to the closure of the first aromatic ring as well as the growth mechanisms leading to amorphous carbon grains. Existing studies on PAH formation in evolved stellar envelopes are reviewed and new results for the modelling of the inner wind of the archetype carbon star IRC+10216 are presented. Benzene, C6H6, forms close to the star, as well as water, H2O, as a result of non-equilibrium chemistry induced by the periodic passage of shocks. The growth process of aromatic rings may thus resemble that active in sooting flames due to the presence of radicals like hydroxyl, OH. Finally, we discuss possible formation processes for PAHs and aromatic compounds in the hydrogen-...

  3. Stereochemistry of bistricyclic aromatic enes and related polycyclic systems.

    Science.gov (United States)

    Biedermann, P Ulrich; Agranat, Israel

    2014-01-01

    Bistricyclic aromatic enes (BAEs) and related polycyclic systems are a class of molecular materials that display a rich variety of conformations, dynamic stereochemistry and switchable chirality, color, and spectroscopic properties. This is due to the a subtle interplay of the inherent preference for planarity of aromatic systems and the competing necessity of non-planarity due to intramolecular overcrowding in the fjord regions built into the general molecular structure of BAEs. The conformational, dynamic, and spectroscopic properties may be designed and fine-tuned, e.g., by variation of the bridging groups X and Y, the overcrowding in the fjord regions, extensions of the aromatic system, or other modifications of the general BAE structure, based on the fundamental understanding of the structure-property relationships (SPR). The present review provides an analysis of the conformational spaces and the dynamic stereochemistry of overcrowded bistricyclic aromatic enes applying fundamental symmetry considerations. The symmetry analysis presented here allows deeper insight into the conformations, chirality, and the mechanisms of the dynamic stereochemistry, and will be instrumental in future computational studies.

  4. Polycyclic aromatic hydrocarbons (PAH) in Danish barbecued meat

    DEFF Research Database (Denmark)

    Duedahl-Olesen, Lene; Aaslyng, Margit Dall; Meinert, Lene

    2015-01-01

    Barbecuing is known to result in the formation of polycyclic aromatic hydrocarbons (PAHs). A validated method that employed pressurized liquid extraction (PLE), gel permeation chromatography (GPC) followed by solid phase extraction (SPE) on Silica and analytical determination by GC-MS was applied...

  5. THE RATES OF POLYCYCLIC AROMATIC HYDROCARBON EMISSIONS FROM INCENSE BURNING

    Science.gov (United States)

    The paper presents the results of experiments performed to determine the amounts of gas- and particle-phase polycyclic aromatic hydrocarbons (PAHS) in incense smoke. Ten brands of incense, 3 of stick, 2 of joss stick, and one each of cone, smudge bundle, rope, powder, and rock, w...

  6. The aromatic and polyphenolic composition of Roman camomile tea.

    Science.gov (United States)

    Carnat, A; Carnat, A P; Fraisse, D; Ricoux, L; Lamaison, J L

    2004-01-01

    The qualitative and quantitative composition of the main aromatic and polyphenolic constituents of infusion from Chamaemelum nobile flowers was examined. The camomile tea contained a large amount of polyphenolic compounds (340 mg/l), the most important being chamaemeloside (155 mg/l). Only traces of essential oil were recovered in tea (7 mg/l).

  7. Mycotoxicogenic fungal inhibition by innovative cheese cover with aromatic plants.

    Science.gov (United States)

    Moro, Armando; Librán, Celia M; Berruga, M Isabel; Zalacain, Amaya; Carmona, Manuel

    2013-03-30

    The use of aromatic plants and their extracts with antimicrobial properties may be compromised in the case of cheese, as some type of fungal starter is needed during its production. Penicillium verrucosum is considered a common cheese spoiler. The aim of this study was to evaluate the innovative use of certain aromatic plants as natural cheese covers in order to prevent mycotoxicogenic fungal growth (P. verrucosum). A collection of 12 essential oils (EOs) was obtained from various aromatic plants by solvent-free microwave extraction technology, and volatile characterisation of the EOs was carried out by gas chromatography/mass spectrometry. The most effective EOs against P. verrucosum were obtained from Anethum graveolens, Hyssopus officinalis and Chamaemelum nobile, yielding 50% inhibition of fungal growth at concentration values lower than 0.02 µL mL⁻¹. All EOs showed high volatile heterogeneity, with α-phellandrene, pinocamphone, isopinocamphone, α-pinene, camphene, 1,8-cineole, carvacrol and trans-anethole being found to be statistically significant in the antifungal model. The use of these aromatic plants as natural covers on cheese can satisfactorily inhibit the growth of some mycotoxicogenic fungal spoilers. Among the volatile compounds present, α- and β-phellandrene were confirmed as the most relevant in the inhibition. © 2012 Society of Chemical Industry.

  8. Interactions of polyhalogenated aromatic hydrocarbons with thyroid hormone metabolism

    NARCIS (Netherlands)

    Schuur, A.G.

    1998-01-01

    This thesis deals with the possible interactions of polyhalogenated aromatic hydrocarbons and/or their metabolites with thyroid hormone metabolism. This chapter summarizes firstly the effects of thyroid hormone on the induction of biotransformation enzymes by PHAHs. Secondly, the results on

  9. Burning Incense and Aromatic Plants for Auspicious Smoke in Lhasa

    Institute of Scientific and Technical Information of China (English)

    ZHANGZONGXIAN

    2004-01-01

    People of the Tibetan ethnic group follow certain rituals that are remnants of the primitive religion that existed in the region many centuries ago,including buming incense and aromatic plants to create auspicious smoke, as well as blood rituals and the sorcerer's dance.

  10. Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal.

    Science.gov (United States)

    Pandey, Sarvesh Kumar; Manogaran, Dhivya; Manogaran, Sadasivam; Schaefer, Henry F

    2016-05-12

    Attempts to establish degrees of aromaticity in molecules are legion. In the present study, we begin with a fictitious fragment arising from only those atoms contributing to the aromatic ring and having a force field projected from the original system. For example, in benzene, we adopt a fictitious C6 fragment with a force field projected from the full benzene force field. When one bond or angle is stretched and kept fixed, followed by a partial optimization for all other internal coordinates, structures change from their respective equilibria. These changes are the responses of all other internal coordinates for constraining the bond or angle by unit displacements and relaxing the forces on all other internal coordinates. The "interaction coordinate" derived from the redundant internal coordinate compliance constants measures how a bond (its electron density) responds for constrained optimization when another bond or angle is stretched by a specified unit (its electron density is perturbed by a finite amount). The sum of interaction coordinates (responses) of all bonded neighbors for all internal coordinates of the fictitious fragment is a measure of the strength of the σ and π electron interactions leading to aromatic stability. This sum, based on interaction coordinates, appears to be successful as an aromaticity index for a range of chemical systems. Since the concept involves analyzing a fragment rather than the whole molecule, this idea is more general and is likely to lead to new insights.

  11. Biotransformation of polycyclic aromatic hydrocarbons in marine polychaetes

    DEFF Research Database (Denmark)

    Jørgensen, Anne; Giessing, Anders; Rasmussen, Lene Juel

    2008-01-01

    Deposit-feeding polychaetes constitute the dominant macrofauna in marine environments that tend to be depositional centers for organic matter and contaminants. Polychaetes are known to accumulate polycyclic aromatic hydrocarbons (PAHs) from both particulate and dissolved phases but less is known...

  12. Metabolic pathways for degradation of aromatic hydrocarbons by bacteria

    NARCIS (Netherlands)

    Ladino-Orjuela, G.; Gomes, E.; da Silva, R.; Salt, C.; Parsons, J.R.; de Voogt, W.P.

    2016-01-01

    The aim of this revision was to build an updated collection of information focused on the mechanisms and elements involved in metabolic pathways of aromatic hydrocarbons by bacteria. Enzymes as an expression of the genetic load and the type of electron acceptor available, as an environmental factor,

  13. CONTROL OF AROMATIC WASTE AIR STREAMS BY SOIL BIOREACTORS

    Science.gov (United States)

    Three soils were examined for the ability to degrade hydrocarbon vapors of benzene, toluene, ethylbenzene, and o-xylene (BTEX). Each of these compounds are major aromatic constituents of gasolines. The soils examined were Rubicon Sand from Traverse City, Michigan, Durant Loam fro...

  14. Interactions of polyhalogeneted aromatic hydrocarbons with thyroid hormone metabolism.

    NARCIS (Netherlands)

    Schuur, A.G.

    1998-01-01

    This thesis deals with the possible interactions of polyhalogenated aromatic hydrocarbons and/or their metabolites with thyroid hormone metabolism. This chapter summarizes firstly the effects of thyroid hormone on the induction of biotransformation enzymes by PHAHs. Secondly, the results on the inhi

  15. Polycyclic aromatic hydrocarbons and fatal ischemic heart disease.

    NARCIS (Netherlands)

    Burstyn, I.; Kromhout, H.; Partanen, T.A.; Svane, O.; Langard, S.; Ahrens, W.; Kauppinen, T.; Stucker, I.; Shaham, J.; Heederik, D.; Ferro, G.; Heikkila, P.; Hooiveld, M.; Johansen, C.; Randem, B.G.; Boffetta, P.

    2005-01-01

    BACKGROUND: Several toxicologic and epidemiologic studies have produced evidence that occupational exposure to polycyclic aromatic hydrocarbons (PAH) is a risk factor for ischemic heart disease (IHD). However, a clear exposure-response relation has not been demonstrated. METHODS: We studied a

  16. Environmental polycyclic aromatic hydrocarbons affect androgen receptor activation in vitro

    DEFF Research Database (Denmark)

    Vinggaard, Anne Marie; Hnida, Christina; Larsen, John Christian

    2000-01-01

    Nine structurally different polycyclic aromatic hydrocarbons (PAHs) were tested for their ability to either agonize or antagonize the human androgen receptor (hAR) in a sensitive reporter gene assay based on CHO cells transiently cotransfected with a hAR vector and an MMTV-LUC vector. Benz...

  17. 40 CFR 721.785 - Halogenated alkane aromatic compound (generic name).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Halogenated alkane aromatic compound... Specific Chemical Substances § 721.785 Halogenated alkane aromatic compound (generic name). (a) Chemical... as a halogenated alkane aromatic compound (PMN P-94-1747) is subject to reporting under this...

  18. 40 CFR 721.10179 - Copolymers of phenol and aromatic hydocarbon (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Copolymers of phenol and aromatic... Specific Chemical Substances § 721.10179 Copolymers of phenol and aromatic hydocarbon (generic). (a... generically as copolymers of phenol and aromatic hydocarbon (PMNs P-04-346 and P-04-347) are subject...

  19. 40 CFR 721.9620 - Aromatic sulfonic acid compound with amine.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic sulfonic acid compound with... Specific Chemical Substances § 721.9620 Aromatic sulfonic acid compound with amine. (a) Chemical substance... aromatic sulfonic acid compound with amine (PMN P-93-832) is subject to reporting under this section...

  20. Study of the origin of polycyclic aromatic hydrocarbons in water of Lake Baikal

    Science.gov (United States)

    Semenova, M. Yu.; Snytko, V. A.; Marinaite, I. I.

    2017-06-01

    The concentration of polycyclic aromatic hydrocarbons in the water of Lake Baikal is estimated. The published data on the composition of polycyclic aromatic hydrocarbons in industrial and communal emissions and in crude oils are analyzed. Anthropogenic sources of lake water contamination are revealed. It is concluded that polycyclic aromatic hydrocarbons enter the lake as a result of natural oil release.

  1. 40 CFR 721.7200 - Perfluoroalkyl aromatic carbamate modified alkyl methacrylate copolymer.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Perfluoroalkyl aromatic carbamate... Significant New Uses for Specific Chemical Substances § 721.7200 Perfluoroalkyl aromatic carbamate modified...) The chemical substance identified generically as perfluoroalkyl aromatic carbamate modified alkyl...

  2. In situ biodegradation potential of aromatic hydrocarbons in anaerobic groundwaters

    Science.gov (United States)

    Acton, D. W.; Barker, J. F.

    1992-04-01

    Three types of experiments were conducted to assess the potential for enhancing the in situ biodegradation of nine aromatic hydrocarbons in anaerobic, leachate-impacted aquifers at North Bay, Ontario, and at Canada Forces Base Borden. Laboratory micrososms containing authentic aquifer material and groundwater from the North Bay site were amended with nitrate and glucose. No significant losses of aromatic hydrocarbons were observed compared to unamended controls, over a period of 187 days. A total of eight in situ biodegradation columns were installed in the North Bay and Borden aquifers. Remedial additions included electron acceptors (nitrate and sulphate) and primary substrates (acetate, lactate and yeast extract). Six aromatic hydrocarbons [toluene, ethylbenzene, m-xylene, o-xylene, cumene and 1,2,4-trimethylbenzene ( 1,2,4-TMB)] were completely degraded in at least one in situ column at the North Bay site. Only toluene was degraded in the Borden aquifer. In all cases, aromatic hydrocarbon attenuation was attributed to biodegradation by methanogenic and fermentative bacteria. No evidence of aromatic hydrocarbon degradation was observed in columns remediated with nitrate or primary substrates. A continuous forced gradient injection experiment with sulphate addition was conducted at the North Bay site over a period of 51 days. The concentration of six aromatic hydrocarbons was monitored over time in the injection wells and at piezometer fences located 2, 5 and 10 m downgradient. All compounds except toluene reached injection concentration between 14 and 26 days after pumping began, and showed some evidence of selective retardation. Toluene broke through at a subdued concentration (˜ 50% of injection levels), and eventually declined to undetectable levels on day 43. This attenuation was attributed to adaptation and biodegradation by anaerobic bacteria. The results from these experiments indicate that considerable anaerobic biodegradation of aromatic hydrocarbons in

  3. Inorganic-organic hybrid coating material for the online in-tube solid-phase microextraction of monohydroxy polycyclic aromatic hydrocarbons in urine.

    Science.gov (United States)

    Wang, ShuLing; Xu, Hui

    2016-12-01

    An inorganic-organic hybrid nanocomposite (zinc oxide/polypyrrole) that represents a novel kind of coating for in-tube solid-phase microextraction is reported. The composite coating was prepared by a facile electrochemical polymerization strategy on the inner surface of a stainless-steel tube. Based on the coated tube, a novel online in-tube solid-phase microextraction with liquid chromatography and mass spectrometry method was developed and applied for the extraction of three monohydroxy polycyclic aromatic hydrocarbons in human urine. The coating displayed good extraction ability toward monohydroxy polycyclic aromatic hydrocarbons. In addition, long lifespan, excellent stability, and good compression resistance were also obtained for the coating. The experimental conditions affecting the extraction were optimized systematically. Under the optimal conditions, the limits of detection and quantification were in the range of 0.039-0.050 and 0.130-0.167 ng/mL, respectively. Good linearity (0.2-100 ng/mL) was obtained with correlation coefficients larger than 0.9967. The repeatability, expressed as relative standard deviation, ranged between 2.5% and 9.4%. The method offered the advantage of process simplicity, rapidity, automation, and sensitivity in the analysis of human urinary monohydroxy polycyclic aromatic hydrocarbons in two different cities of Hubei province. An acceptable recovery of monohydroxy polycyclic aromatic hydrocarbons (64-122%) represented the additional attractive features of the method in real urine analysis.

  4. Polycyclic aromatic hydrocarbons as plausible prebiotic membrane components.

    Science.gov (United States)

    Groen, Joost; Deamer, David W; Kros, Alexander; Ehrenfreund, Pascale

    2012-08-01

    Aromatic molecules delivered to the young Earth during the heavy bombardment phase in the early history of our solar system were likely to be among the most abundant and stable organic compounds available. The Aromatic World hypothesis suggests that aromatic molecules might function as container elements, energy transduction elements and templating genetic components for early life forms. To investigate the possible role of aromatic molecules as container elements, we incorporated different polycyclic aromatic hydrocarbons (PAH) in the membranes of fatty acid vesicles. The goal was to determine whether PAH could function as a stabilizing agent, similar to the role that cholesterol plays in membranes today. We studied vesicle size distribution, critical vesicle concentration and permeability of the bilayers using C(6)-C(10) fatty acids mixed with amphiphilic PAH derivatives such as 1-hydroxypyrene, 9-anthracene carboxylic acid and 1,4 chrysene quinone. Dynamic Light Scattering (DLS) spectroscopy was used to measure the size distribution of vesicles and incorporation of PAH species was established by phase-contrast and epifluorescence microscopy. We employed conductimetric titration to determine the minimal concentration at which fatty acids could form stable vesicles in the presence of PAHs. We found that oxidized PAH derivatives can be incorporated into decanoic acid (DA) vesicle bilayers in mole ratios up to 1:10 (PAH:DA). Vesicle size distribution and critical vesicle concentration were largely unaffected by PAH incorporation, but 1-hydroxypyrene and 9-anthracene carboxylic acid lowered the permeability of fatty acid bilayers to small solutes up to 4-fold. These data represent the first indication of a cholesterol-like stabilizing effect of oxidized PAH derivatives in a simulated prebiotic membrane.

  5. Metabolic activation of aromatic amines and azo dyes.

    Science.gov (United States)

    Bartsch, H

    1981-01-01

    Aromatic amines, amides and nitro compounds are a class of chemicals that produce tumors in a wide variety of tissues in experimental animals, including liver, urinary bladder, forestomach, small intestine, Zymbal's gland, subcutaneous tissue or skin. In man, exposure to some aromatic amines is associated with tumours of the urinary bladder and carcinoma of the renal pelvis. Their biological activity as carcinogens or genotoxic agents is, in all the cases that have been studied in detail, dependent on metabolic activation in vivo, occurring by multiple pathways. Differences in these metabolic pathways may largely account for the differences in tissues and species susceptibilities to cancer induction. Carcinogenicity of aromatic amines or amides is dependent on their oxidation to N-hydroxy derivatives, whilst the carcinogenicity of aromatic nitro compounds is linked to their reduction to hydroxylamines. Further conversion of the N-hydroxylamine or N-hydroxyamide to reactive intermediates can occur in several ways, which include (i) esterification of the N-hydroxy group, (ii) non-enzymic protonation of the nitrogen of the hydroxylamine and (iii) oxidation to a free radical of arylhydroxamic acids. Following generation of such reactive electrophilic intermediates in tissues or cells, macromolecular binding has been observed to nucleic acids and proteins. In many cases, arylamidated and arylaminated products are formed with nucleic acid bases; in the case of the well-studied 2-acetylaminofluorene, nucleophilic atoms of guanine are the predominant site of reaction. Relatively little is known of the structure and biological consequences of DNA adducts formed from other aromatic amines, amides or nitro compounds; more research in these directions is warranted.

  6. Correlation between atmospheric polycyclic aromatic hydrocarbons exposure and urinary hydroxyl metabolites of polycyclic aromatic hydrocarbons in elderly population in Tianjin

    Institute of Scientific and Technical Information of China (English)

    秦晓蕾

    2013-01-01

    Objective To identify suitable hydroxyl polycyclic aromatic hydrocarbons(OH-PAHs) for co-evaluation of internal exposure level of PAHs by simultaneous determination of a variety of OH-PAHs in urine. Methods The 24-h individual particulate matter and morning urine

  7. Effect of different solvent on the photocatalytic activity of ZnIn{sub 2}S{sub 4} for selective oxidation of aromatic alcohols to aromatic aldehydes under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Su, Li [College of Chemistry and Materials Science, Huaibei Normal University, Anhui Huaibei 235000 (China); Ye, Xiangju [College of Chemistry and Materials Engineering, Anhui Science and Technology University, Anhui, Fengyang 233100 (China); Meng, Sugang; Fu, Xianliang [College of Chemistry and Materials Science, Huaibei Normal University, Anhui Huaibei 235000 (China); Chen, Shifu, E-mail: chshifu@chnu.edu.cn [College of Chemistry and Materials Science, Huaibei Normal University, Anhui Huaibei 235000 (China); College of Chemistry and Materials Engineering, Anhui Science and Technology University, Anhui, Fengyang 233100 (China)

    2016-10-30

    Highlights: • ZnIn{sub 2}S{sub 4} samples were synthesized by solvothermal method with different solvents. • ZnIn{sub 2}S{sub 4} prepared in ethanol exhibited the highest photocatalytic performance. • The performance was mainly attributed to the level of exposed {0001} crystal face. • ·O{sub 2}{sup −} and positive holes were proved to be the main active species. • A possible mechanism for oxidation of benzyl alcohol to benzaldehyde was proposed. - Abstract: A series of ternary chalcogenides, zinc indium sulphide (ZnIn{sub 2}S{sub 4}), were synthesized by a simple solvothermal method with different solvents. The structure, textural, and optical properties of the resulting materials were thoroughly characterized by several techniques. The as-prepared ZnIn{sub 2}S{sub 4} samples could all be employed as excellent photocatalysts to activate O{sub 2} for selective oxidation of aromatic alcohols to aromatic aldehydes under visible light illumination. The results showed that ZnIn{sub 2}S{sub 4} prepared in ethanol solvent (ZIS-EtOH) exhibited the highest photocatalytic activity among the screened samples. The differences of photocatalytic performance for ZnIn{sub 2}S{sub 4} samples prepared in different media were mainly attributed to the different levels of exposed {0001} special facets caused by the exposure extent of the basic crystal plane. In addition, ·O{sub 2}{sup −} and positive holes were proved to be the main active species during the photocatalytic process. Combined with the previous reports, a possible photocatalytic mechanism for the selective oxidation of benzyl alcohol to benzaldehyde over ZnIn{sub 2}S{sub 4} sample was proposed.

  8. Improved synthesis of seven aromatic Baylis-Hillman adducts (BHA): evaluation against Artemia salina Leach. and Leishmania chagasi.

    Science.gov (United States)

    Barbosa, Ticiano P; Junior, Cláudio G L; Silva, Fábio P L; Lopes, Horacimone M; Figueiredo, Lucas R F; Sousa, Suervy C O; Batista, Guilherme N; da Silva, Thiago G; Silva, Tania M S; de Oliveira, Márcia R; Vasconcellos, Mário L A A

    2009-04-01

    We described a very efficient procedure to prepare seven aromatic compounds (1-7), a new class of antileishmanial substances, through Baylis-Hillman reaction (BHR). With one, all the Baylis-Hillman adducts were prepared in quantitative yields by reaction of the corresponding aromatic aldehydes in acrylonitrile at 0 degrees C in only 10-40min reaction time. We present our results about the toxicities of these compounds evaluated on the microcrustaceous Artemia salina Leach. and against promastigote Leishmania chagasi. All substances evaluated in this work have showed high bioactivity. The 3-hydroxy-2-methylene-3-(4-bromopheny)propanenitrile (4) (LC(50)=30.9 microg/mL on A. salina; IC(50)=25.2 microM on L. chagasi) was the most active compound evaluated on A. salina Leach. and on promastigote L. chagasi. The 2-[hydroxy(pyridin-4-yl)methyl]acrylonitrile (7) (LC(50)=30.9 microg/mL on A. salina Leach.; IC(50)=4.8 microg/mL on L. chagasi) was also a very active substance evaluated in this work on promastigote L. chagasi.

  9. Monomers for thermosetting and toughening epoxy resins. [glycidyl amine derivatives, propargyl-containing amines, and mutagenic testing of aromatic diamines

    Science.gov (United States)

    Pratt, J. R.

    1981-01-01

    Eight glycidyl amines were prepared by alkylating the parent amine with epichlorohydrin to form chlorohydrin, followed by cyclization with aqueous NaOH. Three of these compounds contained propargyl groups with postcuring studies. A procedure for quantitatively estimating the epoxy content of these glycidyl amines was employed for purity determination. Two diamond carbonates and several model propargly compounds were prepared. The synthesis of three new diamines, two which contain propargyloxy groups, and another with a sec-butyl group is in progress. These materials are at the dinitro stage ready for the final hydrogenation step. Four aromatic diamines were synthesized for mutagenic testing purposes. One of these compounds rapidly decomposes on exposure to air.

  10. Novel and Efficient One Pot Condensation Reactions between Ketones and Aromatic Alcohols in the Presence of CrO3 Producing α,β-Unsaturated Carbonyl Compounds%Novel and Efficient One Pot Condensation Reactions between Ketones and Aromatic Alcohols in the Presence of CrO3 Producing α,β-Unsaturated Carbonyl Compounds

    Institute of Scientific and Technical Information of China (English)

    李亚男; 陈道勇

    2011-01-01

    We report a new, effective and simple method for preparing a,fl-unsaturated carbonyl compounds by reacting ketones and aromatic alcohols at 56 ℃ in the presence of CrO3 (CrO3 acts as an oxidant and also a catalyst) for around 10 h. The condensation reactions occurred effectively among a wide combination of ketones and alcohols. The procedure is simple and the yields can be high up to 98%. And a probable mechanism is proposed.

  11. Silver-catalyzed arylation of (hetero)arenes by oxidative decarboxylation of aromatic carboxylic acids.

    Science.gov (United States)

    Kan, Jian; Huang, Shijun; Lin, Jin; Zhang, Min; Su, Weiping

    2015-02-09

    A long-standing challenge in Minisci reactions is achieving the arylation of heteroarenes by oxidative decarboxylation of aromatic carboxylic acids. To address this challenge, the silver-catalyzed intermolecular Minisci reaction of aromatic carboxylic acids was developed. With an inexpensive silver salt as a catalyst, this new reaction enables a variety of aromatic carboxylic acids to undergo decarboxylative coupling with electron-deficient arenes or heteroarenes regardless of the position of the substituents on the aromatic carboxylic acid, thus eliminating the need for ortho-substituted aromatic carboxylic acids, which were a limitation of previously reported methods.

  12. Aromatization of Ethanol Over Desilicated ZSM-5 Zeolites: Effect of Pore Size in the Mesoporous Region.

    Science.gov (United States)

    Jun, Jong Won; Hasan, Zubair; Kim, Chul-Ung; Jeong, Soon-Yong; Jhung, Sung Hwa

    2016-05-01

    Mesoporous ZSM-5 zeolites were obtained from microporous ZSM-5 by desilication using aqueous NaOH solutions, and their catalytic activity in the aromatization of ethanol was investigated in order to understand the effects of pore size, in the mesoporous region, on the product distribution and stability of the catalysts. Mesopores generally enhanced the selectivities towards aromatics and stability for aromatization. Mesopores with a maximum pore diameter of around 13 nm were the most effective in the aromatization process (especially for benzene and toluene), suggesting that pore-diameter optimization is necessary for efficient catalysis such as aromatization.

  13. Synthesis and evaluation of aromaticity and tautomerization of pyrazolopyridazin(on)es

    Indian Academy of Sciences (India)

    NURETT˙IN MENGES; ˙ISHAK BILDIRICI

    2017-06-01

    Aromaticity of pyrazolopyridazin(on)es was investigated using NICS(0), NICS(1), NICSzz(1), FIPC-NICS and HOMA aromaticity indexes and it was observed that aromaticity of pyridazin(on)es was amenable to aromaticity of pyrazole and vice versa. Some tautomeric forms of pyridazinone were analyzedand the localized orbital locator maps, electron density maps, Fuzzy, Laplacian, and Mayer bond order methods showed dominant form. Different substituents, amine, chlorine, phenyl, methyl, hydrogen, substituted-phenyl, etc. on both the rings were chosen to search out the substituent effect. Aromaticity of pyrazolopyridazin(on)es was searched out in detail for the first time.

  14. Metabolism of Multiple Aromatic Compounds in Corn Stover Hydrolysate by Rhodopseudomonas palustris.

    Science.gov (United States)

    Austin, Samantha; Kontur, Wayne S; Ulbrich, Arne; Oshlag, J Zachary; Zhang, Weiping; Higbee, Alan; Zhang, Yaoping; Coon, Joshua J; Hodge, David B; Donohue, Timothy J; Noguera, Daniel R

    2015-07-21

    Lignocellulosic biomass hydrolysates hold great potential as a feedstock for microbial biofuel production, due to their high concentration of fermentable sugars. Present at lower concentrations are a suite of aromatic compounds that can inhibit fermentation by biofuel-producing microbes. We have developed a microbial-mediated strategy for removing these aromatic compounds, using the purple nonsulfur bacterium Rhodopseudomonas palustris. When grown photoheterotrophically in an anaerobic environment, R. palustris removes most of the aromatics from ammonia fiber expansion (AFEX) treated corn stover hydrolysate (ACSH), while leaving the sugars mostly intact. We show that R. palustris can metabolize a host of aromatic substrates in ACSH that have either been previously described as unable to support growth, such as methoxylated aromatics, and those that have not yet been tested, such as aromatic amides. Removing the aromatics from ACSH with R. palustris, allowed growth of a second microbe that could not grow in the untreated ACSH. By using defined mutants, we show that most of these aromatic compounds are metabolized by the benzoyl-CoA pathway. We also show that loss of enzymes in the benzoyl-CoA pathway prevents total degradation of the aromatics in the hydrolysate, and instead allows for biological transformation of this suite of aromatics into selected aromatic compounds potentially recoverable as an additional bioproduct.

  15. Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds.

    Science.gov (United States)

    Feixas, Ferran; Vandenbussche, Jelle; Bultinck, Patrick; Matito, Eduard; Solà, Miquel

    2011-12-14

    Aromaticity is a property usually linked to the ground state of stable molecules. Although it is well-known that certain excited states are unquestionably aromatic, the aromaticity of excited states remains rather unexplored. To move one step forward in the comprehension of aromaticity in excited states, in this work we analyze the electron delocalization and aromaticity of a series of low-lying excited states of cyclobutadiene, benzene, and cyclooctatetraene with different multiplicities at the CASSCF level by means of electron delocalization measures. While our results are in agreement with Baird's rule for the aromaticity of the lowest-lying triplet excited state in annulenes having 4nπ-electrons, they do not support Soncini and Fowler's generalization of Baird's rule pointing out that the lowest-lying quintet state of benzene and septet state of cyclooctatetraene are not aromatic.

  16. Preparing for Surgery

    Science.gov (United States)

    ... Events Advocacy For Patients About ACOG Preparing for Surgery Home For Patients Search FAQs Preparing for Surgery ... Surgery FAQ080, August 2011 PDF Format Preparing for Surgery Gynecologic Problems What is the difference between outpatient ...

  17. Preparing for Surgery

    Science.gov (United States)

    ... Events Advocacy For Patients About ACOG Preparing for Surgery Home For Patients Search FAQs Preparing for Surgery ... Surgery FAQ080, August 2011 PDF Format Preparing for Surgery Gynecologic Problems What is the difference between outpatient ...

  18. Thermal diffusivity of aromatic polyimide thin films by temperature wave analysis

    Science.gov (United States)

    Morikawa, Junko; Hashimoto, Toshimasa

    2009-06-01

    The heat transport properties of aromatic polyimide thin films have become more important in the use for the electric insulation in the microelectronic devices with highly integrated circuits. The various kinds of measuring methods have been applied to obtain the anisotropic thermal conductivity and thermal diffusivity of thin films, however, if the specimens are soft and transparent, the conventional methodology requires highly advanced technology in preparing the specimens for the measurement and the results obtained vary widely. The purpose of this study is to apply the temperature wave analysis (TWA) method to measure the thermal diffusivity of thin films and spin-coated layers of aromatic polyimide in the thickness direction at various temperatures. The TWA is an absolute method to determine the thermal diffusivity by using the phase shift of temperature wave. We have performed measurements on the five different chemical structures of aromatic polyimide, including polyimide isoindoloquinazolinedione (PIQ), pyromellitic dianhydride and 4,4'-oxydianiline (PMDA/ODA), 3,3',4,4',-biphenyltetracarboxylic dianhydride and p-phenylenediamine (BPDA/PPDA), 3,3',4,4'-biphenyltetracarboxylic dianhydride and 4,4'-oxydianiline (BPDA/ODA), and 3,3',4,4'-benzophenonetetracarboxylic dianhydride and 3,3'-diaminobenzophenone (BTDA/DAB). As a result, thermal diffusivity of thin films in a thickness range from 0.1 to 300 μm at a temperature range from 10 to 570 K is obtained. The thickness dependence of thermal diffusivity of spin-coated layers of PIQ exhibits a good coincidence with the tendency of molecular anisotropy observed by attenuated total reflection Fourier transform infrared spectroscopy. In the low temperature below 20 K the amorphous PMDA/ODA film exhibits a substantial increase, which can be understood by considering the phonon mean free path of amorphous systems as first noted by Kittel for inorganic glasses. The glass transition of BTDA/DAB is observed as a rapid

  19. Comparison of Genetic Diversity Between Local Cultivated Aromatic and Non-aromatic Rice in Yunnan Province%云南地方香稻与非香稻遗传多样性比较

    Institute of Scientific and Technical Information of China (English)

    白现广; 程在全; 蔺忠龙; 吕广磊; 黄兴奇

    2009-01-01

    [Objective] The genetic diversity of the local cultivated aromatic rice and non-aromatic rice in Yunnan Province were compared to provide further genetic resources for breeding practice.[Method] Genetic diversity of 10 aromatic rice and 45 non-aromatic rice were analyzed by 64 SSR primers covered on 12 rice chromosomes. [Result] Per locus 5.44 and 7.98 alleles in average were detected, ranging from 2 to 12 and from 2 to 17 in aromatic and non-aromatic rice , respectively. Average genetic multiplicity index(Hs) was 0.46 and 0.67 respectively. The average polymorphism information content (PIC) was 0.43 and 0.58 in aromatic and non-aromatic rice respectively.[Conclusion] The results indicated that genetic diversity was higher in non-aromatic rice than in aromatic rice.

  20. Polythiophene/hexagonally ordered silica nanocomposite coating as a solid-phase microextraction fiber for the determination of polycyclic aromatic hydrocarbons in water.

    Science.gov (United States)

    Abolghasemi, Mir Mahdi; Yousefi, Vahid

    2014-01-01

    A highly porous fiber coated with polythiophene/hexagonally ordered silica nanocomposite was prepared for solid-phase microextraction (SPME). The prepared nanomaterial was immobilized onto a stainless-steel wire for the fabrication of the SPME fiber. Polythiophene/hexagonally ordered silica nanocomposite fibers were used for the extraction of some polycyclic aromatic hydrocarbons from water samples. The extracted analytes were transferred to the injection port of a gas chromatograph using a laboratory-designed SPME device. The results obtained prove the ability of the polythiophene/hexagonally ordered silica material as a new fiber for the sampling of organic compounds from water samples. This behavior is due most probably to the increased surface area of the polythiophene/hexagonally ordered silica nanocomposite. A one-at-a-time optimization strategy was applied for optimizing the important extraction parameters such as extraction temperature, extraction time, ionic strength, stirring rate, and desorption temperature and time. Under the optimum conditions, the LOD of the proposed method is 0.1-3 pg/mL for analysis of polycyclic aromatic hydrocarbons from aqueous samples, and the calibration graphs were linear in a concentration range of 0.001-20 ng/mL (R(2) > 0.990) for most of the polycyclic aromatic hydrocarbons. The single fiber repeatability and fiber-to-fiber reproducibility were less than 8.6 and 19.1% (n = 5), respectively.

  1. Preparation and Analysis of Biomass Lignins

    Science.gov (United States)

    Compere, Alicia L.; Griffith, William L.

    Lignin, comprised primarily of three randomly polymerized phenylpropenyl monomers, is, arguably, the second most common organic molecule on earth. In current biorefinery applications, lignin is burned, usually in concentrated pulping or hydrolysis liquor, as a source of process steam and both internal and exported electricity. The aromatic content of lignin makes it a potentially attractive feedstock for high-value aromatic chemicals, polymers, and carbon products (graphite, activated carbon, and carbon fiber). Revenue from production of lignin-based chemicals could play a major role in biorefinery profitability if cost-effective methods for lignin separation and purification can be developed. This chapter presents descriptions of methods for assessing and purifying biorefinery lignins so that they can be evaluated for use as feedstock for production of chemical products. Areas covered are: (1) initial evaluations of as-received lignin samples (visual, microscopic, separable organics); (2) analysis of common contaminants (bulk and filterable ash and particulate contaminants in liquid and dry lignin samples); (3) preparation of lignins for experimental use as chemical feedstock (prefiltration, filtration using bench-scale chemical apparatus and larger scale bag filters, one-step lignin precipitation, two-step carbohydrate and lignin precipitation, desalting of dry powdered or precipitated lignin, and lyophilization). These methods have been used successfully at the bench scale to produce the 1-50 kg amounts of wood and grass lignins typically required for bench-scale assessment as chemical feedstocks.

  2. Characterization of biochar prepared from biogas digestate.

    Science.gov (United States)

    Hung, Chao-Yi; Tsai, Wen-Tien; Chen, Jie-Wei; Lin, Yu-Quan; Chang, Yuan-Ming

    2017-08-01

    In the study, the biogas digestate was evaluated as a potential feedstock for preparing biochars at a broad temperature range of 300-900°C. The physico-chemical and pore properties of the resulting biochars (denoted as SDBC, solid digestate biochar), including calorific value (higher heating value), surface area/pore volume/pore size distribution, true density, scanning electron microscopy - energy dispersive X-ray spectroscopy (SEM-EDS) and X-ray powder diffraction (XRD), were studied. It was found that the higher heating values of the SDBC products were on a decreasing trend as pyrolysis temperature increased, but they indicated an increase in true density. The results are probably associated with the active pyrolysis of the lignocellulosic fragments and the calcination (or shrinkage) processes, thus resulting in the increased contents of aromatic carbon clusters and main mineral constituents remained. Based on the pore properties, pyrolysis temperature at around 800°C seemed to be the optimal condition for producing SDBC, where its Brunauer-Emmet-Teller (BET) surface area (>100m(2)/g) largely increased as compared to that of the digestate feedstock (700°C) due to the high aromaticity via the thermal decomposition of lignocelluloses and the volatilization of inorganic minerals. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Lignans and aromatic glycosides from Piper wallichii and their antithrombotic activities.

    Science.gov (United States)

    Shi, Yan-Ni; Shi, Yi-Ming; Yang, Lian; Li, Xing-Cong; Zhao, Jin-Hua; Qu, Yan; Zhu, Hong-Tao; Wang, Dong; Cheng, Rong-Rong; Yang, Chong-Ren; Xu, Min; Zhang, Ying-Jun

    2015-03-13

    Piper wallichii (Miq.) Hand.-Mazz. is a medicinal plant used widely for the treatment of rheumatoid arthritis, inflammatory diseases, cerebral infarction and angina in China. Previous study showed that lignans and neolignans from Piper spp. had potential inhibitory activities on platelet aggregation. In the present study, we investigated the chemical constituents of Piper wallichii and their antithrombotic activities, to support its traditional uses. The methanolic extract of the air-dried stems of Piper wallichii was separated and purified using various chromatographic methods, including semi-preparative HPLC. The chemical structures of the isolates were determined by detailed spectroscopic analysis, and acidic hydrolysis in case of the new glycoside 2. Determination of absolute configurations of the new compound 1 was facilitated by calculated electronic circular dichroism using time-dependent density-functional theory. All compounds were tested for their inhibitory effects on platelet aggregation induced by platelet activating factor (PAF) in rabbits׳ blood model, from which the active ones were further evaluated the in vivo antithrombotic activity in zebrafish model. A new neolignan, piperwalliol A (1), and four new aromatic glycosides, piperwalliosides A-D (2-5) were isolated from the stems of Piper wallichii, along with 25 known compounds, including 13 lignans, six aromatic glycosides, two phenylpropyl aldehydes, and four biphenyls. Five known compounds (6-10) showed in vitro antiplatelet aggregation activities. Among them, (-)-syringaresinol (6) was the most active compound with an IC50 value of 0.52 mM. It is noted that in zebrafish model, the known lignan 6 showed good in vivo antithrombotic effect with a value of 37% at a concentration of 30 μM, compared with the positive control aspirin with the inhibitory value of 74% at a concentration of 125μM. This study demonstrated that lignans, phenylpropanoid and biphenyl found in Piper wallichii may be

  4. Wet Aerobic Oxidation of Lignin into Aromatic Aldehydes Catalysed by a Perovskite-type Oxide: LaFe1-xCuxO3 (x=0, 0.1, 0.2

    Directory of Open Access Journals (Sweden)

    Lu Lin

    2009-07-01

    Full Text Available The perovskite-type oxide catalyst LaFe1-xCuxO3 (x=0, 0.1, 0.2 was prepared by the sol–gel method, and tested as a catalyst in the wet aerobic oxidation (WAO of lignin into aromatic aldehydes. The lignin conversion and the yield of each aromatic aldehyde were significantly enhanced in the catalytic process, compared with the non-catalyzed process. Moreover, it was shown that the stability of activity and structure of LaFe1-xCuxO3 (x=0, 0.1, 0.2 remained nearly unchanged after a series of successive recyclings of the catalytic reactions, indicating it was an efficient and recyclable heterogeneous catalyst for the conversion of lignin into aromatic aldehydes in the WAO process.

  5. Annual fuel reviews 1987. Aromatic and tar industry

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Yoshinori

    1988-07-20

    Production of benzene, toluene, and xylene - major aromatic products - was 227,000 tons in total in 1987, which exceeded the 1986 production by 12%, renewing the past highest production record. The reason was the favorable supply and demand situation of petroleum chemicals with ethylene as the main products. Total production of pitch, creosote and naphthalene which are the typical tar products was less than that of 1986 by 5%. It was caused by the delayed recovery of the raw material industry with iron as the main product. The demand for aromatic products largely increased in 1987. Demands for toluene and xylene were at high levels. Demand for tar products was roughly the same as 1986 except for continued poor pitch demand. Demand for creosote was approximately of the smae level as 1986. The demand for 95% naphthalene was 2% less as a whole in comparison with 1986. (11 tabs)

  6. GC/MS Analysis of the Aromatic Composition of Gasoline

    Science.gov (United States)

    Kostecka, Keith S.; Rabah, Ashraf; Palmer, Charles F., Jr.

    1995-09-01

    The gas chromatography/mass spectrometry (GC/MS) analysis of three brands of regular unleaded gasoline was conducted as part of the independent project of an undergraduate journalism major. In his work, samples of each gasoline were diluted down to part per million (ppm) levels with dichloromethane and then one microliter injections were made onto a Hewlett-Packard GC (5890 Series II unit). Mass spectra were also obtained on each sample through use of a 5971A mass selective detector (MSD). Subsequent characterization was consequently effected through utilization of the standard mass spectra available in a 49,000 compound National Bureau of Standards reference library. Comparison of the obtained and standard spectra revealed that the same aromatic hydrocarbons (including, in part: benzene, the xylenes, naphthalene, and methylated naphthalenes) were present in all three samples. Percentage values for these and other aromatic hydrocarbons were then generated and tabulated.

  7. Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids.

    Science.gov (United States)

    Przybyłek, Maciej; Ziółkowska, Dorota; Mroczyńska, Karina; Cysewski, Piotr

    2016-03-31

    The cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals including pharmaceutically relevant coformers such as mono- and dihydroxybenzoic acids. The cocrystallization abilities of SMD and EMD with aromatic carboxylic acids were found to be unexpectedly divers despite high formal similarities of these two benzamides and ability of the R2,2(8) heterosynthon formation. The source of diversities of the cocrystallization landscapes is the difference in the stabilization of possible conformers by adopting alternative intramolecular hydrogen boding patterns. The stronger intramolecular hydrogen bonding the weaker affinity toward intermolecular complexation potential. The substituent effects on R2,2(8) heterosynthon properties are also discussed.

  8. Exposure to polycyclic aromatic hydrocarbons with special focus on cancer

    Directory of Open Access Journals (Sweden)

    Thamaraiselvan Rengarajan

    2015-03-01

    Full Text Available Polycyclic aromatic hydrocarbons (PAHs are a group of compounds consisting of two or more fused aromatic rings. Most of them are formed during incomplete combustion of organic materials such as wood and fossil fuels, petroleum products, and coal. The composition of PAH mixtures varies with the source and is also affected by selective weathering effects in the environment. PAHs are ubiquitous pollutants frequently found in a variety of environments such as fresh water and marine sediments, the atmosphere, and ice. Due to their widespread distribution, the environmental pollution due to PAHs has aroused global concern. Many PAHs and their epoxides are highly toxic, mutagenic and/or carcinogenic to microorganisms as well as to higher forms of life including humans. The main aim of this review is to provide contemporary information on PAH sources, route of exposure, worldwide emission rate, and adverse effects on humans, especially with reference to cancer.

  9. Kinetic Modeling of Paraffin Aromatization over Zeolites: A Design Perspective

    Science.gov (United States)

    Bhan, Aditya; Katare, Santhoji; Caruthers, James; Lauterbach, Jochen; Venkatasubramanian, Venkat; Delgass, Nicholas

    2002-03-01

    A generic framework for catalyst design involving the solution of a forward predictive problem using hybrid models and the inverse problem using evolutionary algorithms has been proposed. In that context, we investigate the aromatization of light paraffins over HZSM-5 to obtain the catalyst descriptors and associated kinetic parameters that predict performance. A detailed kinetic model that can fundamentally quantify the catalytic properties of acid sites in terms of intrinsic parameters such as rate constants and activation energies of elementary steps is developed on the basis of the following types of reactions: adsorption/desorption, oligomerization/ beta-scission, hydride transfer, protolysis and aromatization. The reaction network so generated has been grouped under various reaction families taking into account the different stabilities and reactivities of the adsorbed carbenium/carbonium ions. The detailed parameterization of each reaction type, optimizing fits to data, linking catalyst descriptors to performance, and means of improving the robustness of the model will be presented.

  10. Development of FCC Naphtha Hydrodesulfurization and Aromatization Process

    Institute of Scientific and Technical Information of China (English)

    Zhu Huaxing; Zhu Jianhua; Liu Jinlong; Sun Diancheng; Gong Xuhui

    2005-01-01

    This articles refers to the development of the technology for hydrodesulfurization (HDS) and aromatization of FCC naphtha This technology adopts a catalyst with aromatization performance, which does not reduce the octane rating of gasoline in the course of HDS of FCC naphtha. Experimental results have shown that the sulfur removal rate of FCC naphtha could reach over 85%, with the RON of gasoline increased by 0.2-0.6 units, the MON increased by 1.3-1.8 units and the antiknock index of the gasoline increased by around one unit. The total C5+ liquid yield was over 95%. The activity of regenerated catalyst could be restored to be equal to that of fresh one after coke burning on the spent catalyst.

  11. Self-Consistent Study of Conjugated Aromatic Molecular Transistors

    Science.gov (United States)

    Wang, Jing; Liang, Yun-Ye; Chen, Hao; Wang, Peng; Note, R.; Mizuseki, H.; Kawazoe, Y.

    2010-06-01

    We study the current through conjugated aromatic molecular transistors modulated by a transverse field. The self-consistent calculation is realized with density function theory through the standard quantum chemistry software Gaussian03 and the non-equilibrium Green's function formalism. The calculated I - V curves controlled by the transverse field present the characteristics of different organic molecular transistors, the transverse field effect of which is improved by the substitutions of nitrogen atoms or fluorine atoms. On the other hand, the asymmetry of molecular configurations to the axis connecting two sulfur atoms is in favor of realizing the transverse field modulation. Suitably designed conjugated aromatic molecular transistors possess different I - V characteristics, some of them are similar to those of metal-oxide-semiconductor field-effect transistors (MOSFET). Some of the calculated molecular devices may work as elements in graphene electronics. Our results present the richness and flexibility of molecular transistors, which describe the colorful prospect of next generation devices.

  12. STUDY OF AROMATIC CONTENT OF DIFFERENT BRANDIES MADE IN ARMENIA

    Directory of Open Access Journals (Sweden)

    Sukoyan M. R.

    2014-04-01

    Full Text Available Brandy alcohols from the grades of Muscat Berkatu, Kakhet and mixes of white grades of grapes became objects of researches. The content of some aromatic components of wine alcohols was investigated using the device of a gas-liquid chromatography Clarus-400 (with the ardent and ionization detector, a capillary column, 60 m x 0,32 mm, Elite-WAX ETR, gas-carrier-helium. Muscat alcohol according to the general content of aromatic substances (919,35 mg / 100 ml a.a. was different from the other studied samples at the expense of the high content of ethyl acetate and izoamyl alcohol. As a result of the organoleptic analysis of a blend samples it was allocated a brandy blend with the following ratios of alcohol and wine - a blend alcohol – 74,37 %, liqueur wine – 25,63 % with strong muscat aroma and shades of taste

  13. Aromaticity of All Possible C26N2 Isomers

    Institute of Scientific and Technical Information of China (English)

    TANG,Ming-Hui; ABLIKIM,Kerim

    2008-01-01

    The aromaticity of all possible heterofullerenes C26N2 and C28 based on Td symmetry has been studied by means of the topological resonance energy and percentage topological resonance energy methods. The relationship between the aromaticity of the C26N2 isomers and the sites where nitrogen atoms dope at the C28 cage has been discussed. The calculation results show that the most stable isomer of C26N2 derivatives is formed by nitrogen atoms doping at the two tetrahedral vertices. C26N2 isomers are more stable than C28, but the C26N2-2 isomers are less stable than C4-28. The effect of nitrogen substitution on C28 stability was investigated by the topological charge stabilization rule.

  14. Antimicrobial Aromatic Polyketides from Gorgonian- Associated Fungus, Penicillium commune 518

    Institute of Scientific and Technical Information of China (English)

    王俊锋; 刘培培; 王义; 王慧; 李静; 庄以彬; 朱伟明

    2012-01-01

    Seven new aromatic polyketides, communols A-G (1-7), were isolated and identified from the fermentation broth of Penicillium commune 518, a marine-derived fungus associated with the Gorgonian, Muricella abnormalis. The new structures of 1-7 were determined by spectroscopic analysis and X-ray single crystal diffraction. Among them, communol D (4) was the first example of a naturally occurring aromatic polyketide with a sulfoxide group from marine thngi. Compounds 1, 6, and 7 all showed moderate antimicrobial activities against Escherichia coli and Enterobacter aerogenes with MIC values of 4.1/16.4, 6.4/25.8, and 23.8/23.8μmoloL^-1, respectively.

  15. Disproportionation of ethylbenzene in the presence of _C8 aromatics

    Institute of Scientific and Technical Information of China (English)

    N. Sharnappa; S. Pai, V.V. Bokade

    2009-01-01

    The selective synthesis of p-diethylbenzene (p-DEB) by disproportionation of ethylbenzene (EB) in the presence of aromatics like m- and p-xylene isomers has been studied over a pore size regulated HZSM-5 catalyst. The industrial feed having different compositions of ethylbenzene and xylene isomers was used for the experimentation. Hence,they were expected to hinder the movement of reactant molecules both on the external surface and within the zeolite channels. It was observed that irrespective of the different feed compositions the concentration of the xylene isomers was intact in the product. There is no other byproducts formation like para-ethylmethyl benzene. The effects of varying the concentration of aromatic compounds in the feed on ethylbenzene conversion and product distribution over the parent and modified H-ZSM-5 catalyst have been discussed. Ethylbenzene disproportionation reaction follows the pseudo first order reaction with an activation energy of 8.6 kcal/mol.

  16. Selective production of aromatics from alkylfurans over solid acid catalysts

    DEFF Research Database (Denmark)

    Wang, Dong; Dumesic, James A.; Taarning, Esben

    2013-01-01

    Solid acid catalysts were studied at temperatures near 523K for the production of benzene, toluene, and p-xylene by the reaction of ethylene with furan, 2-methylfuran, and 2,5-dimethylfuran, respectively, through the combination of cycloaddition and dehydrative aromatization reactions. Catalysts ...... that the high reactivity of WOx-ZrO2 is mainly associated with the presence of subnanometer WOx clusters mixed with zirconium, which reach a maximum surface concentration at intermediate tungsten coverage....

  17. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Ricca, Alessandra [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Allamandola, Louis J., E-mail: Alessandra.Ricca-1@nasa.gov, E-mail: Charles.W.Bauschlicher@nasa.gov [Space Science Division, Mail Stop 245-6, NASA Ames Research Center, Moffett Field, CA 94035 (United States)

    2013-10-10

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster.

  18. Mass transfer properties of chlorinated aromatic polyamide reverse osmosis membranes

    OpenAIRE

    Ettori, Axel; Gaudichet-Maurin, Emmanuelle; Aimar, Pierre; Causserand, Christel

    2012-01-01

    International audience; Water (A) and solute (B) permeability of aromatic polyamide (PA) reverse osmosis membranes (RO) were monitored under varying applied pressure, solute nature and concentration to assess their evolution after exposure of the membrane to free chlorine. Above a threshold value of 400 ppm h HOCl water permeability was influenced by permeation conditions during both filtration of ultrapure water (UP water) and reverse osmosis of salts performed sequentially. Water permeabili...

  19. Kurdistan crude oils as feedstock for production of aromatics

    Directory of Open Access Journals (Sweden)

    Abdulsalam R. Karim

    2017-05-01

    Full Text Available Crude oils from various locations in Iraqi Kurdistan were fully evaluated, so that enables refiners to improve their operation by selecting the best crude oil that yields high naphtha content to be used as a catalytic reforming feedstock after determination of total sulfur content and then de sulfurizing them, then cyclizing or reforming these sweet naphtha cuts to produce aromatic fractions which can be split into benzene, toluene, and xylenes.

  20. Polycyclic Aromatic Hydrocarbons and Heavy Metals in Kostrena Coastal Area

    OpenAIRE

    Tomić Linšak, Dijana; Linšak, Željko; Bešić, Denis; Vojčić, Nina; Teležar, Mirna; Čoklo, Miran; Šušnić, Saša; Mićović, Vladimir

    2011-01-01

    The aim of this study was to determine pollution by polycyclic aromatic hydrocarbons (PAH) and heavy metals in seawater and sediment in Kostrena coastal area, as well as their toxicity using bioluminescence based tests. Total PAH concentration in seawater ranged 1.7-155.3 ng/L. The share of carcinogenetic PAH was relatively high, ranging 22–48.3%. Nickel concentrations in seawater were beyond detection limits (

  1. Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom

    CERN Document Server

    Chattaraj, Pratim Kumar

    2007-01-01

    In this communication we analyze the stability, reactivity and possible aromatic behavior of two recently reported clusters (Reveles J. U.; Khanna S. N.; Roach P. J.; Castleman A. W. jr. Proc. Natl. Acad. Sci, 2006, 103, 18405), viz., Al7C- and Al7O- in the light of the principles of the maximum hardness and minimum electrophilicity as well as the nucleus independent chemical shift values.

  2. [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.

  3. Microbial degradation of xenobiotic, aromatic pollutants in humic water.

    OpenAIRE

    Larsson, P.; Okla, L; Tranvik, L.

    1988-01-01

    The microbial degradation of a number of 14C-labeled, recalcitrant, aromatic pollutants, including trichloroguaiacol and di-, tri-, and pentachlorophenol, was investigated in aquatic model systems in the laboratory. Natural, mixed cultures of microorganisms in the water from a brown-water lake with a high content of humic compounds mineralized all of the tested substances to a higher degree than did microorganisms in the water from a clear-water lake. Dichlorophenol was the most rapidly degra...

  4. The importance of being aromatic: π interactions in sodium symporters.

    Science.gov (United States)

    Jiang, Xuan; Loo, Donald D F; Hirayama, Bruce A; Wright, Ernest M

    2012-11-27

    In the LeuT family of sodium solute symporters, 13-17% of the residues in transmembrane domains are aromatic. The unique properties of aromatic amino acids allow them to play specialized roles in proteins, but their function in membrane transporters is underappreciated. Here we analyze the π bonding pattern in the LeuT (5TMIR) family and then describe the role of a triad of aromatic residues in sodium-dependent sugar cotransporters (SGLTs). In SLC5 symporters, three aromatic residues in TM6 (SGLT1 W289, Y290, and W291) are conserved in only those transporting sugars and inositols. We used biophysical analysis of mutants to discover their functional roles, which we have interpreted in terms of CH-π, π-π, and cation-π bonding. We discovered that (1) glucose binding involves CH-π stacking with Y290, (2) π T-stacking interactions between Y290 and W291 and H-bonding between Y290 and N78 (TM1) are essential to form the sodium and sugar binding sites, (3) the Na(+):sugar stoichiometry is determined by these residues, and (4) W289 may be important in stabilizing the structure through H-bonding to TM3. We also find that the WYW triad plays a role in Na(+) coordination at the Na1 site, possibly through cation-π interactions. Surprisingly, this Na(+) is not necessarily coupled to glucose translocation. Our analysis of π interactions in other LeuT proteins suggests that they also contribute to the structure and function in this whole family of transporters.

  5. Polycyclic Aromatic Hydrocarbons in Residential Dust: Sources of Variability

    OpenAIRE

    Whitehead, Todd P; Metayer, Catherine; Petreas, Myrto; Does, Monique; Buffler, Patricia A.; Rappaport, Stephen M.

    2013-01-01

    Background: There is interest in using residential dust to estimate human exposure to environmental contaminants. Objectives: We aimed to characterize the sources of variability for polycyclic aromatic hydrocarbons (PAHs) in residential dust and provide guidance for investigators who plan to use residential dust to assess exposure to PAHs. Methods: We collected repeat dust samples from 293 households in the Northern California Childhood Leukemia Study during two sampling rounds (from 2001 thr...

  6. Lignin as a renewable aromatic resource for the chemical industry

    OpenAIRE

    Gosselink, R.J.A.

    2011-01-01

    Valorization of lignin plays a key role in the further development of lignocellulosic biorefinery processes for biofuels and biobased materials production. Today’s increased demand for alternatives to fossil carbon-based products expands the interest and the need to create added value to the unconverted lignin fraction. The aim of the research was to study the potential of lignin to become a renewable aromatic resource for the chemical industry. Lignin can be considered as an abundantly...

  7. Formic-acid-induced depolymerization of oxidized lignin to aromatics.

    Science.gov (United States)

    Rahimi, Alireza; Ulbrich, Arne; Coon, Joshua J; Stahl, Shannon S

    2014-11-13

    Lignin is a heterogeneous aromatic biopolymer that accounts for nearly 30% of the organic carbon on Earth and is one of the few renewable sources of aromatic chemicals. As the most recalcitrant of the three components of lignocellulosic biomass (cellulose, hemicellulose and lignin), lignin has been treated as a waste product in the pulp and paper industry, where it is burned to supply energy and recover pulping chemicals in the operation of paper mills. Extraction of higher value from lignin is increasingly recognized as being crucial to the economic viability of integrated biorefineries. Depolymerization is an important starting point for many lignin valorization strategies, because it could generate valuable aromatic chemicals and/or provide a source of low-molecular-mass feedstocks suitable for downstream processing. Commercial precedents show that certain types of lignin (lignosulphonates) may be converted into vanillin and other marketable products, but new technologies are needed to enhance the lignin value chain. The complex, irregular structure of lignin complicates chemical conversion efforts, and known depolymerization methods typically afford ill-defined products in low yields (that is, less than 10-20wt%). Here we describe a method for the depolymerization of oxidized lignin under mild conditions in aqueous formic acid that results in more than 60wt% yield of low-molecular-mass aromatics. We present the discovery of this facile C-O cleavage method, its application to aspen lignin depolymerization, and mechanistic insights into the reaction. The broader implications of these results for lignin conversion and biomass refining are also considered.

  8. 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.

  9. Technogenic pollution of pine forests by polycyclic aromatic hydrocarbons

    Directory of Open Access Journals (Sweden)

    O. V. Kalugina

    2015-08-01

    Full Text Available Anthropogenic pollution of boreal forests by polycyclic aromatic hydrocarbons was assessed by polycyclic aromatic hydrocarbon (PAH concentrations in needles of Scots pine (Pinus sylvestris L. trees growing in the vicinity of the Bratsk aluminium smelter – one of the largest aluminium smelters in the world. The fieldwork was performed in 2012–2013 on 34 index plots, set in mixed herb and sedge-mixed herb pine forests (mostly site class III. It is shown that the total accumulation of PAHs reaches its highest level (more than 6000 ng/g in pine needle samples collected at sites up to 3 km from the aluminium smelter. PAH total quantity decreases with increasing the distance from the pollution source and at a distance of 50 km reaches values close to background ones. The highest concentrations of PAHs were detected in needle samples collected at plots located from the plant in a direction corresponding to the prevailing emissions transfer. There was also detected a significant difference in compositions of individual PAHs: there were 18 compounds identified in samples collected near the aluminium smelter whereas only 6 compounds were identified in samples collected on the background territories. Among the PAHs accumulated in pine trees assimilation organs the substances with 3–4 aromatic rings (phenanthrene, fluoranthene, pyrene, chrysene were dominant with their total number reaching 90 % of the total. Compound with 5–6 aromatic rings (benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, benzo[e]pyrene, perylene, indeno[1,2,3-c,d]pyrene, benzo[g, h, i]perylene, dibenz[a, h]anthracene.comprises a smaller proportion (from 6 to 27 % in total PAHs content. High concentrations of benzo[a]pyrene and perylene in needle samples collected in the vicinity of the aluminum smelter indicate technogenic character of forest pollution.

  10. Synthesis of a new aromatic dianhydride monomer and related polyimide

    Institute of Scientific and Technical Information of China (English)

    Yun Xia Wei; Ming Guang Ma; Guo Hu Zhao; Sheng Ying Li; Ming Kai Chen

    2009-01-01

    A novel aromatic dianhydride monomer,3,3'-oxybis[(3,4-dicarboxyphenoxy)phenol]dianhydride,was successfully synthe-sized in three steps using 3,3'-oxybis(phenol)as starting material,which was reacted with 4,4'-oxydianiline(ODA)via a conventional thermal or chemical imidization method to produce a new polyimide.The resulting polyimide exhibited excellent solubility,and film-forming capability.

  11. Occurrence of fungi degrading aromatic hydrocarbons in activated sludge biocenoses

    Directory of Open Access Journals (Sweden)

    Anna Grabińska-Łoniewska

    2014-08-01

    Full Text Available A set of 21 strains of yeast-like microorganisms isolated from biocenoses of aerobic and anaerobic wastewater treatment systems were assayed for their ability to utilize aromatic hydrocarbons as a sole C-source. Basing on the achieved results, the highly biochemically active strains for application in enhancing of wastewaters and exhaust gases purification as well as soil bioremediation were selected.

  12. Analytic technique measures aromatics in soil and water

    Energy Technology Data Exchange (ETDEWEB)

    Roy, K.A.

    1990-12-01

    This paper reports on a technique for detecting aromatic compounds in soil and water. The technique traces its roots to a chemical reaction discovered in 1877. The reaction is an organic synthesis process that has been harnessed for the production of high-octane gasoline, synthetic rubber, plastics and synthetic detergents. More than a century later the same chemistry is used as the basis for an analytical technique that quantifies contamination caused by products.

  13. Structural insights into the regulation of aromatic amino acid hydroxylation

    OpenAIRE

    Fitzpatrick, Paul F.

    2015-01-01

    The aromatic amino acid hydroxylases phenylalanine hydroxylase, tyrosine hydroxylase, and tryptophan hydroxylase are homotetramers, with each subunit containing a homologous catalytic domain and a divergent regulatory domain. The solution structure of the regulatory domain of tyrosine hydroxylase establishes that it contains a core ACT domain similar to that in phenylalanine hydroxylase. The isolated regulatory domain of tyrosine hydroxylase forms a stable dimer, while that of phenylalanine h...

  14. Formic-acid-induced depolymerization of oxidized lignin to aromatics

    Science.gov (United States)

    Rahimi, Alireza; Ulbrich, Arne; Coon, Joshua J.; Stahl, Shannon S.

    2014-11-01

    Lignin is a heterogeneous aromatic biopolymer that accounts for nearly 30% of the organic carbon on Earth and is one of the few renewable sources of aromatic chemicals. As the most recalcitrant of the three components of lignocellulosic biomass (cellulose, hemicellulose and lignin), lignin has been treated as a waste product in the pulp and paper industry, where it is burned to supply energy and recover pulping chemicals in the operation of paper mills. Extraction of higher value from lignin is increasingly recognized as being crucial to the economic viability of integrated biorefineries. Depolymerization is an important starting point for many lignin valorization strategies, because it could generate valuable aromatic chemicals and/or provide a source of low-molecular-mass feedstocks suitable for downstream processing. Commercial precedents show that certain types of lignin (lignosulphonates) may be converted into vanillin and other marketable products, but new technologies are needed to enhance the lignin value chain. The complex, irregular structure of lignin complicates chemical conversion efforts, and known depolymerization methods typically afford ill-defined products in low yields (that is, less than 10-20wt%). Here we describe a method for the depolymerization of oxidized lignin under mild conditions in aqueous formic acid that results in more than 60wt% yield of low-molecular-mass aromatics. We present the discovery of this facile C-O cleavage method, its application to aspen lignin depolymerization, and mechanistic insights into the reaction. The broader implications of these results for lignin conversion and biomass refining are also considered.

  15. Tuning Conductance in Aromatic Molecules: Constructive and Counteractive Substituent Effects

    DEFF Research Database (Denmark)

    Garner, Marc H.; Solomon, Gemma C.; Strange, Mikkel

    2016-01-01

    Destructive quantum interference in aromatic hydrocarbons can be tuned using chemical substituents; however, classical chemical intuition is not enough to explain the effects on electron transport. Using Huckel theory and density functional theory calculations, in combination with the Landauer....... This insight should be useful when substituents are to be used for tuning destructive quantum interference features in the transmission relative to the Fermi energy of the electrodes....

  16. Concerted nucleophilic aromatic substitution with 19F- and 18F-

    Science.gov (United States)

    Neumann, Constanze N.; Hooker, Jacob M.; Ritter, Tobias

    2016-06-01

    Nucleophilic aromatic substitution (SNAr) is widely used by organic chemists to functionalize aromatic molecules, and it is the most commonly used method to generate arenes that contain 18F for use in positron-emission tomography (PET) imaging. A wide range of nucleophiles exhibit SNAr reactivity, and the operational simplicity of the reaction means that the transformation can be conducted reliably and on large scales. During SNAr, attack of a nucleophile at a carbon atom bearing a ‘leaving group’ leads to a negatively charged intermediate called a Meisenheimer complex. Only arenes with electron-withdrawing substituents can sufficiently stabilize the resulting build-up of negative charge during Meisenheimer complex formation, limiting the scope of SNAr reactions: the most common SNAr substrates contain strong π-acceptors in the ortho and/or para position(s). Here we present an unusual concerted nucleophilic aromatic substitution reaction (CSNAr) that is not limited to electron-poor arenes, because it does not proceed via a Meisenheimer intermediate. We show a phenol deoxyfluorination reaction for which CSNAr is favoured over a stepwise displacement. Mechanistic insights enabled us to develop a functional-group-tolerant 18F-deoxyfluorination reaction of phenols, which can be used to synthesize 18F-PET probes. Selective 18F introduction, without the need for the common, but cumbersome, azeotropic drying of 18F, can now be accomplished from phenols as starting materials, and provides access to 18F-labelled compounds not accessible through conventional chemistry.

  17. DNA nanostructures based biosensor for the determination of aromatic compounds.

    Science.gov (United States)

    Gayathri, S Baby; Kamaraj, P; Arthanareeswari, M; Devikala, S

    2015-10-15

    Graphite electrode was modified using multi-walled carbon nanotubes (MWCNT), chitosan (CS), glutaraldehyde (GTA) and DNA nanostructures (nsDNA). DNA nanostructures of 50 nm in size were produced from single DNA template sequence using a simple two step procedure and were confirmed using TEM and AFM analysis. The modified electrode was applied to the electrochemical detection of aromatic compounds using EIS. The modified electrode was characterized using differential pulse voltammetry (DPV), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). For comparison, electrochemical results derived from single stranded (50 bp length) and double stranded (50 bp length) DNA based biosensors were used. The results indicate that the modified electrode prior to nsDNA immobilization provides a viable platform that effectively promotes electron transfer between nsDNA and the electrode. The mode of binding between the nsDNA and aromatic compounds was investigated using EIS, indicating that the dominant interaction is non-covalent. nsDNA based biosensor was observed to act as an efficient biosensor in selective and sensitive identification of aromatic compounds.

  18. Predicting toxicity of aromatic ternary mixtures to algae

    Institute of Scientific and Technical Information of China (English)

    LU GuangHua; WANG Chao; WANG PeiFang; YANG ChengZhi

    2009-01-01

    Aquatic ecosystems are often polluted with more than one type of contaminant, and information on the combined toxic effects of mixed pollutants on aquatic organisms is scarce at present. Acute toxicity of aromatic compounds and their ternary mixtures to the alga (Scenedesmus obliquus) was determined by the algae growth inhibition test. The median effective concentration (EC_(50)) value for a single aromatic compound and EC_(50mix) values for mixtures were obtained, the logarithm of n-octanol/water partition coefficient (logP_(mix)) and the frontier orbital energy gap (△E_(mix) for mixtures were calculated. Based on the quantitative structure-activity relationship model for single chemical toxicity log(1/EC_(50)) =0.426logP-1.150△E+12.61 (n=15, R~2=0.917 and Q~2=0.878), the following two-descriptor model was developed for the ternary mixture toxicity of aromatic compounds: log(1/EC_(50mix))=O.68210gP_(mix)-O.367△E_(mix)+ 4.971 (n=44, R~2-0.869 and Q~2=0.843). This model can be used to predict the combined toxicity of mixtures containing toxicants with different mechanisms of action.

  19. Ensemble modeling for aromatic production in Escherichia coli.

    Directory of Open Access Journals (Sweden)

    Matthew L Rizk

    Full Text Available Ensemble Modeling (EM is a recently developed method for metabolic modeling, particularly for utilizing the effect of enzyme tuning data on the production of a specific compound to refine the model. This approach is used here to investigate the production of aromatic products in Escherichia coli. Instead of using dynamic metabolite data to fit a model, the EM approach uses phenotypic data (effects of enzyme overexpression or knockouts on the steady state production rate to screen possible models. These data are routinely generated during strain design. An ensemble of models is constructed that all reach the same steady state and are based on the same mechanistic framework at the elementary reaction level. The behavior of the models spans the kinetics allowable by thermodynamics. Then by using existing data from the literature for the overexpression of genes coding for transketolase (Tkt, transaldolase (Tal, and phosphoenolpyruvate synthase (Pps to screen the ensemble, we arrive at a set of models that properly describes the known enzyme overexpression phenotypes. This subset of models becomes more predictive as additional data are used to refine the models. The final ensemble of models demonstrates the characteristic of the cell that Tkt is the first rate controlling step, and correctly predicts that only after Tkt is overexpressed does an increase in Pps increase the production rate of aromatics. This work demonstrates that EM is able to capture the result of enzyme overexpression on aromatic producing bacteria by successfully utilizing routinely generated enzyme tuning data to guide model learning.

  20. Ambient air pollution by aromatic hydrocarbons in Algiers

    Science.gov (United States)

    Kerbachi, Rabah; Boughedaoui, Ménouèr; Bounoua, Lahouari; Keddam, Malika

    The analysis of the C 6-C 16 semi-volatile organic compounds reveals the presence of numerous aromatic hydrocarbons in the ambient air of Algiers. Three representative sites were chosen for sample collection at roadside, urban background and semi-rural areas. The following major monocyclic aromatic hydrocarbons were found: benzene, toluene, ethylbenzene, ( m, p)- and o-xylene, also referred to as BTEX. Near the road traffic, benzene and toluene mean concentrations were 27 and 39 μg m -3, respectively, with benzene concentration values higher than 40 μg m -3 often observed. At the urban site, the benzene concentration often exceeds the European regulatory limit of 10 μg m -3 while the compositional ratios of toluene to benzene and ( m- p) xylene to ethylbenzene are within the typical range of values observed in urban atmospheres worldwide. The seasonal variation indicates a decrease in concentration during summer of the reactive o-xylene compound. It is suggested that Algiers' source of high-level air pollution by aromatic hydrocarbons is related to car traffic emissions.