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Sample records for highly substituted 2-amido-furans

  1. Gold-catalyzed Alkyne Hydroxylation: Synthesis of 2-Substituted Benzo[b]furan Compounds

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yuan; XIN Zhi-Jun; XUE Ji-Jun; LI Ying

    2008-01-01

    A strategy concerning the synthesis of 2-substituted benzo[b]furan compounds from o-alkynyl phenols via a gold-catalyzed alkyne hydroxylation is described, which allows the rapid synthesis of various 2-substituted benzo[b]furan derivatives in excellent yields under mild conditions. The o-alkynyl phenol precursors were readily prepared with a Sonogashira coupling reaction.

  2. Synthesis, studies and in-vitro antibacterial activity of N-substituted 5-(furan-2-yl-phenyl pyrazolines

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    Mamta Rani

    2015-03-01

    Full Text Available Novel compounds with antibacterial properties: pyrazoline derivatives were synthesized by the cyclization of various -1-[2-(alkoxyphenyl]-3-(furan-2-yl prop-2-en-1-one 1a–1d with N-substituted phenyl hydrazine in the presence of CH3COOH in ethanol. The structures of these compounds were elucidated by, IR, 1H NMR, 13C NMR, ESI-MS spectral data and their purities were confirmed by elemental analyses. The in vitro antibacterial activity of these compounds was evaluated against two Gram-positive and two Gram-negative bacteria Aeromonas hydrophila, Yersinia enterocolitica, Listeria monocytogenes, and Staphylococcus aureus by microdilution method and then the minimum inhibitory concentration (MIC of compounds were determined. The results showed that compounds (5R-5-(furan-2-yl-1-phenyl-3-[2-(benzyloxyphenyl]-4, 5-dihydro-1H-pyrazole (2b and (5R-5-(furan-2-yl-1-phenyl-3-[2-(naphthalen-2-ylmethoxy prop-2-en-1-yloxyphenyl]-4,5-dihydro-1H-pyrazole (2d showing most promising antibacterial activities as compared to Gentamicin and Tetracycline are given.

  3. Substitute materials of furfuryl alcohol in furan resin used for foundry and their technical properties

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    Li Yingmin

    2009-11-01

    Full Text Available Based on a special synthesis process of furan resin, the furfuryl alcohol (FA, the main component of typical no-bake furan resins is substituted by ethanol and xylitol mother liquor which is relatively low price and chemically active. Through orthogonal test, the optimal amount of xylitol liquor, ethanol and modifi er has been determined. Finally, the test results on technical properties show that the performance can meet the production requirement well, which indicate a success in this substituting attempt.

  4. Substituted Phthalic Anhydrides from Biobased Furanics : A New Approach to Renewable Aromatics

    NARCIS (Netherlands)

    Thiyagarajan, Shanmugam; Genuino, Homer C.|info:eu-repo/dai/nl/371571685; Sliwa, Michal; van der Waal, Jan C.; de Jong, Ed; van Haveren, Jacco; Weckhuysen, Bert M.|info:eu-repo/dai/nl/285484397; Bruijnincx, Pieter C. A.|info:eu-repo/dai/nl/33799529X; van Es, Daan S.

    2015-01-01

    A novel route for the production of renewable aromatic chemicals, particularly substituted phthalic acid anhydrides, is presented. The classical two-step approach to furanics-derived aromatics via Diels-Alder (DA) aromatization has been modified into a three-step procedure to address the general

  5. N-Heterocyclic-Carbene-Catalysed Diastereoselective Vinylogous Mukaiyama/Michael Reaction of 2-(Trimethylsilyloxy)furan and Enones

    KAUST Repository

    Wang, Ying; Du, Guang Fen; Xing, Fen; Huang, Kuo-Wei; Dai, Bin; He, Lin

    2015-01-01

    N-heterocyclic carbenes have been utilised as highly efficient nucleophilic organocatalysts to mediate vinylogous Mukaiyama/Michael reactions of 2-(trimethylsilyloxy)furan with enones to afford γ-substituted butenolides in 44-99% yield with 3:1-32:1 diastereoselectivity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. N-Heterocyclic-Carbene-Catalysed Diastereoselective Vinylogous Mukaiyama/Michael Reaction of 2-(Trimethylsilyloxy)furan and Enones

    KAUST Repository

    Wang, Ying

    2015-10-15

    N-heterocyclic carbenes have been utilised as highly efficient nucleophilic organocatalysts to mediate vinylogous Mukaiyama/Michael reactions of 2-(trimethylsilyloxy)furan with enones to afford γ-substituted butenolides in 44-99% yield with 3:1-32:1 diastereoselectivity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. EXTRACT OF BARBERRY AS ENTIRELY GREEN CATALYST FOR THE SYNTHESIS OF STRUCTURALLY DIVERSE 3,4,5-SUBSTITUTED FURAN-2(5H-ONES

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    Nourallah Hazeri

    2016-12-01

    Full Text Available An eco-friendly and environmentally benign synthesis of 3,4,5-substituted furan-2(5H-ones employing Iranian seedless barberry, known as Zereshk, (Berberis integerrima “Bidaneh”, Berberidaceae as a biocatalyst, was developed. For the fi rst time, we found that the barberry juice could be effectively used for three-component condensation reaction of aldehydes, amines, and dialkyl acetylenedicarboxylates. The merits of this method include the environmentally friendly reaction conditions, simple operation, broad substrate, satisfying yields, and the generation of less waste rather than the conventional chemical reagents.

  8. Synthesis of Novel Benzimidazolyl-substituted Acrylonitriles and Amidino-substituted Benzimidazo[1,2-a]Quinolines

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    Grace Karminski-Zamola

    2006-08-01

    Full Text Available A series of novel benzimidazole derivatives 3-10 were synthesized. Benzimidazolyl-substituted acrylonitriles 3 and 4 underwent a photochemical dehydrocyclization reaction to give the corresponding mono- and dicyano-substituted benzimidazo[1,2-a] quinolines 5 and 6. Pinner reaction of these compounds did not give the expected mono- and diamidines, but rather only compounds 7-10, with amido groups at 6-position were isolated. A mechanism for the reaction is proposed. Acyclic compounds 3 and 4, as well as cyclic benzimidazo[1,2-a]quinolines 5-8, exhibit interesting spectroscopic properties and are potential biologically active compounds.

  9. Magnesium and nickel(II) furan-2,5-dicarboxylate

    DEFF Research Database (Denmark)

    Schau-Magnussen, Magnus; Gorbanev, Yury; Kegnæs, Søren

    2011-01-01

    The salts hexaaquamagnesium furan-2,5-dicarboxylate, [Mg(H2O)(6)](C6H2O5), (I), and hexaaquanickel furan-2,5-dicarboxylate, [Ni(H2O)(6)](C6H2O5), (II), provide the first crystallographic characterization of the furan-2,5-dicarboxylate dianion. Both structures exhibit extensive three-dimensional h...

  10. Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)

    DEFF Research Database (Denmark)

    Beltoft, Vibe Meister; Nørby, Karin Kristiane

    on metabolism and toxicity. The present consideration concerns a group of 28 furan-substituted compounds evaluated by the JECFA. This revision of FGE.67 is due to new data on toxicity for 3-(-methyl-2-furyl) butanal [FL-no: 13.058] providing an appropriate NOAEL for the evaluation of candidate substance [FL...

  11. THE CONCENTRATION AND DISTRIBUTION OF 2,3,7,8-DIBENZO-P-DIOXINS / - FURANS IN CHICKENS

    Science.gov (United States)

    The concentrations of 2,3,7,8-Cl substituted dibenzo-p-dioxins/-furans (PCDDs/PCDFs) were determined in the edible tissues of whole chicken fryers and compared with the values found in their abdominal fat. The values are presented both on a whole weight basis and on a lipid-adju...

  12. Reactivity of the parent amido complexes of iridium with olefins: C-NH2 bond formation versus C-H activation.

    Science.gov (United States)

    Mena, Inmaculada; García-Orduña, Pilar; Polo, Víctor; Lahoz, Fernando J; Casado, Miguel A; Oro, Luis A

    2017-08-29

    Herein we report on the different chemical reactivity displayed by two mononuclear terminal amido compounds depending on the nature of the coordinated diene. Hence, treatment of amido-bridged iridium complexes [{Ir(μ-NH 2 )(tfbb)} 3 ] (1; tfbb = tetrafluorobenzobarrelene) with dppp (dppp = bis(diphenylphosphane)propane) leads to the rupture of the amido bridges forming the mononuclear terminal amido compound [Ir(NH 2 )(dppp)(tfbb)] (3) in the first stage. On changing the reaction conditions, the formation of a C-NH 2 bond between the amido moiety and the coordinated diene is observed and a new dinuclear complex [{Ir(1,22 -4-κ-C 12 H 8 F 4 N)(dppp)} 2 (μ-dppp)] (4) has been isolated. On the contrary, the diiridium amido-bridged complex [{Ir(μ-NH 2 )(cod)} 2 ] (2; cod = 1,5-cyclooctadiene) in the presence of dppb (dppb = bis(diphenylphosphane)butane) allows the isolation of a mononuclear complex [Ir(1,2,3-η 3 -6-κ-C 8 H 10 )H(dppb)] (5), as a consequence of the extrusion of ammonia. The monitoring of the reaction of 2 with dppb (and dppp) allowed us to detect terminal amido complexes [Ir(NH 2 )(P-P)(cod)] (P-P = dppb (6), dppp (7)) in solution, as confirmed by an X-ray analysis of 7. Complex 7 was observed to evolve into hydrido species 5 at room temperature. DFT studies showed that C-H bond activation occurs through the deprotonation of one methylene fragment of the cod ligand by the highly basic terminal amido moiety instead of C-H oxidative addition to the Ir(i) center.

  13. On the Brønsted acid-catalyzed homogeneous hydrolysis of furans.

    Science.gov (United States)

    Nikbin, Nima; Caratzoulas, Stavros; Vlachos, Dionisios G

    2013-11-01

    Furan affairs: Electronic structure calculations of the homogeneous Brønsted acid-catalyzed hydrolysis of 2,5-dimethylfuran show that proton transfer to the β-position is rate-limiting and provides support that the hydrolysis follows general acid catalysis. By means of projected Fukui indices, we show this to be the case for unsubstituted, 2-, and 2,5-substituted furans with electron-donating groups. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Thermodynamic properties of 5(nitrophenyl) furan-2-carbaldehyde isomers.

    Science.gov (United States)

    Dibrivnyi, Volodymyr; Sobechko, Iryna; Puniak, Marian; Horak, Yuriy; Obushak, Mykola; Van-Chin-Syan, Yuriy; Andriy, Marshalek; Velychkivska, Nadiia

    2015-01-01

    The aim of the current work was to determine thermo dynamical properties of 5(2-nitro phenyl)-furan-2-carbaldehyde, 5(3-nitro phenyl)-furan-2-carbaldehyde and 5(4-nitro phenyl)-furan-2-carbaldehyde. The temperature dependence of saturated vapor pressure of 5(2-nitro phenyl)-furan-2-carbaldehyde, 5(3-nitro phenyl)-furan-2-carbaldehyde and 5(4-nitro phenyl)-furan-2-carbaldehyde was determined by Knudsen's effusion method. The results are presented by the Clapeyron-Clausius equation in linear form, and via this form, the standard enthalpies, entropies and Gibbs energies of sublimation and evaporation of compounds were calculated at 298.15 K. The standard molar formation enthalpies of compounds in crystalline state at 298.15 K were determined indirectly by the corresponding standard molar combustion enthalpy, obtained using bomb calorimetry combustion. Determination of the thermodynamic properties for these compounds may contribute to solving practical problems pertaining optimization processes of their synthesis, purification and application and it will also provide a more thorough insight regarding the theoretical knowledge of their nature.Graphical abstract:Generalized structural formula of investigated compounds and their formation enthalpy determination scheme in the gaseous state.

  15. Substituent effects on furan-phenylene copolymer for photovoltaic improvement: A density functional study

    Science.gov (United States)

    Janprapa, Nuttaporn; Vchirawongkwin, Viwat; Kritayakornupong, Chinapong

    2018-06-01

    The structural, electronic and photovoltaic properties of furan-phenylene copolymer ((Fu-co-Ph)4) and its derivatives were evaluated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The calculated band gaps of pristine furan and phenylene are in good agreement with the available experimental data. The lower band gap value of 2.72 eV was obtained from -NO2 and -NHCH3 substituents, leading to broader solar absorption range. With respected to the reorganization energy, -OCH3, -NHCH3, -OH, -SCH3, -CH3, -CF3, -NO2, and -F substituted (Fu-co-Ph)4 structures were classified as better electron donor materials. For combination with PC61BM, -NO2, -CN, -CF3 and -F functionalized copolymers demonstrated significantly higher open circuit voltage (Voc) values ranging from 1.07 to 2.10 eV. Our results revealed that electron withdrawing group substitution on furan-phenylene copolymers was an effective way for improving electronic and optical properties of donor materials used in photovoltaic applications.

  16. Synthesis of fused tricyclic systems by thermal Cope rearrangement of furan-substituted vinyl cyclopropanes.

    Science.gov (United States)

    Klaus, Verena; Wittmann, Stéphane; Senn, Hans M; Clark, J Stephen

    2018-05-15

    A novel method for the stereoselective construction of hexahydroazuleno[4,5-b]furans from simple precursors has been developed. The route involves the use of our recently developed Brønsted acid catalysed cyclisation reaction of acyclic ynenones to prepare fused 1-furanyl-2-alkenylcyclopropanes that undergo highly stereoselective thermal Cope rearrangement to produce fused tricyclic products. Substrates possessing an E-alkene undergo smooth Cope rearrangement at 40 °C, whereas the corresponding Z-isomers do not react at this temperature. Computational studies have been performed to explain the difference in behaviour of the E- and Z-isomers in the Cope rearrangement reaction. The hexahydroazuleno[4,5-b]furans produced by Cope rearrangement have potential as advanced intermediates for the synthesis of members of the guaianolide family of natural products.

  17. Propriedades químicas e de pasta dos amidos de trigo e milho fosforilados Chemical and past properties of wheat and maize starches phosphorilads

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    Williams Pereira Batista

    2010-03-01

    Full Text Available Os amidos de trigo e milho foram fosforilados com tripolifosfato de sódio (TPS em 4 diferentes níveis de adição. As viscosidades máximas da pasta de trigo aumentaram e as temperaturas de pasta diminuíram à medida que cresceram os graus de substituição de grupos fosfato, enquanto que, para o amido de milho, as viscosidades máximas aumentaram e as temperaturas de pasta mantiveram-se constantes. Os amidos fosforilados (amido/água 1:10 foram submetidos à cocção (100,0 ºC/1,0 minuto, secagem (40,0 ºC/~4,0% de umidade e moagem (diâmetro de partícula, Φ = 0,149 mm para determinar o teor de amido resistente (AR. Para o menor grau de substituição de grupos fosfato no amido de trigo (0,0029, foi encontrado um teor de amido resistente de 30,46% e no amido de milho de 24,36%. Para o maior grau de substituição no amido de trigo (0,0127, foi encontrado um teor de AR de 46,69%, enquanto para o amido de milho, 28,40%. O aumento do grau de substituição, em ambos os casos, parece induzir um aumento no teor de amido resistente, e a fosforilação com TPS mostrou ser um excelente método para produzir quantidades significativas de amido resistente tanto no amido de trigo como no amido de milho.Wheat and maize starches were phosphorylated with sodium tripolyphosphate (TPS at 4 different levels of addition. The maximum viscosities of the wheat doughs formed were increased and the dough temperatures decreased as the degrees of substitution of phosphate groups were increased; while for the maize starch the viscosities were increased and the dough temperatures remained constant. The phosphorylated starches (starch/water, 1:10 were subjected to cooking (100 ºC/1 minute, followed by drying (40 ºC/~ 4.0 per cent moisture and milling (particle diameter, Φ = 0.149 mm to determine the resistant starch (RS content. For the lowest degree of substitution of phosphate groups in wheat starch (0.0029, resistant starch content of 30.46 per cent was found

  18. OCORRÊNCIA E CARACTERIZAÇÃO DO AMIDO RESISTENTE EM AMIDOS DE MILHO E DE BANANA

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    Teixeira Maria A.V.

    1998-01-01

    Full Text Available No presente trabalho foi estudada a ocorrência de Amido Resistente (AR em amidos de milho e de banana (naturalmente resistente e investigado o efeito das variáveis: umidade de condicionamento, tempo e temperatura de armazenamento dos géis, na formação do AR em amido normal de milho; além das características físico-químicas e a estrutura fina do AR de milho e de banana. Foi observado que o teor de AR em amidos de milho e banana (2,5% e 49,61%, respectivamente parece não estar relacionada com a composição química do grânulo. O amido de banana apresentou grânulos com certo poliformismo, padrão de raio-x tipo B, além de uma fração linear de DP 34 resistente à b-amilólise. A estrutura cristalina que mantém o grânulo do amido de banana coeso, por si só, não explicou o alto teor de AR encontrado. O amido de milho normal apresentou formas poliédricas e padrão difração em raio-x tipo A. Não foi observada a fração com DP 34 resistente à b-amilólise, apesar da sua maior coesividade quando comparado ao amido de banana. O tratamento hidrotérmico aplicado no amido normal de milho quase triplicou o teor de AR (7,15% devido à formação de estruturas cristalinas coesas. O AR de milho (7,15% de AR, constituído por fragmentos porosos, apresentou padrão de difração tipo C. A não significância do tempo de armazenamento dos géis na produção do AR e a fração linear com DP 34 resistente à b-amilólise presente nos cromatogramas, sugerem a participação da amilose na formação desta estrutura resistente.

  19. Amido resistente em diversas fontes não convencionais de amido

    Directory of Open Access Journals (Sweden)

    C. Fontinha

    2016-02-01

    Full Text Available Amido resistente (AR é aquele que não é digerido no intestino delgado, conduzindo a efeitos benéficos para a saúde, tal como a fibra dietética faz. Procedeu-se à determinação do AR em farinhas e amidos extraídos de duas variedades de castanha (Castanea sativa Mill, Longal e Martainha, da bolota de azinheira (Quercus rotundifolia e da glande do sobreiro (Quercus suber. As farinhas foram obtidas por moenda dos frutos após secagem a diferentes temperaturas, 40º C, 50º C, 60ºC e 70ºC. Posteriormente, procedeu-se ao isolamento dos amidos das farinhas, através da aplicação de dois métodos de extracção: um físico-químico e outro enzimático. Verificou-se que os teores de AR mais elevados foram os apresentados pelas farinhas dos frutos secos a 60ºC, sendo de 46,8%, 36,5%, 39,9% e 43,9%, respectivamente para as castanhas das variedades Longal e Martainha, para a bolota e para a glande. O método de extracção que apresentou valores mais elevados de AR para os amidos extraídos dos diferentes materiais foi o método físico-químico. Tudo indica que a secagem dos frutos a 60ºC e a aplicação do método de extracção do amido pelo processo físico-químico nas farinhas dos frutos secos a esta temperatura são aqueles que melhor preservam a estrutura dos amidos.

  20. Pharmacological aspects of application of 1,2,4-triazole-3-thiol furan derivatives

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    O. A. Bihdan

    2016-12-01

    Full Text Available Introduction. Nowadays 1,2,4-triazole-3-thiol furan derivatives have established themselves as a separate class of promising bioactive compounds. Presented substance is practically non-toxic and exhibits various kinds of pharmacological activity. New original drug «Tryfuzol» in two dosage forms (1% injectable solution and 1% solution for oral administration triumphantly entered the practice of the national veterinary. The most attractive in pharmacological aspects are water-soluble compounds 5-(furan-2-yl-4R-1,2,4-triazole-3-thiols. Other classes of 1,2,4-triazole-3-thiol furan derivatives are also in considerable scientific interest. However, despite the presence of a sufficiently large number of publications, the issue of pharmacological tests systematization of the 1,2,4-triazole-3-thiol furan derivatives is still open. In this way the aim of our work was the systematization of the available sources of domestic authors. Materials and methods. Our work presents the results of systematic analysis of the available domestic literature related to the study of pharmacological properties of 1,2,4-triazole-3-thiol furan derivatives. Research results. It is known that 1,2,4-triazole-3-thiol furan derivatives have wide range of properties and biological activities. Thioacetate salts of corresponding acids show the highest results. The authors investigated the properties of water-soluble compounds of 1,2,4-triazole-3-thiol furan derivatives. Another group of compounds was investigated on hypoglycemic activity. It was established that the most active were piperidine 2-(5-(furan-2-yl-4-(3-methylphenyl-1,2,4-triazol-3-ylthio acetate and piperidine 2-(5-(furan-2-yl-4-phenyl-1,2,4-triazol-3-ylthio acetate. Conclusion. The scientific potential of the domestic pharmaceutical industry has no doubts for today. The literature analysis of Russian authors proves the obvious prospect of further research of biologically active compounds among 1,2,4-triazole-3-thiol

  1. An improved synthesis of 2,2−-((4-substituted phenyl methylene difurans by Ultrasound irradiation

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    Naween M. Yonis

    2016-09-01

    Full Text Available A new series of 2,2−((4-substituted phenyl methylene difuran was synthesized by one-pot cyclocondensation of aldehyde with excess furan at room temperature using trifluoro acetic acid as a catalyst under ultrasound irradiation in the absence of solvent. The products were compared with the classical condensation reactions. This method consistently enjoys the advantages of mild reaction conditions, excellent yields, easy work up and short time.

  2. 1-(Furan-2-yl-2-(2H-indazol-2-ylethanone

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    Özden Özel Güven

    2014-04-01

    Full Text Available The asymmetric unit of the title compound, C13H10N2O2, contains two crystallographically independent molecules (A and B. The indazole ring systems are approximately planar [maximum deviations = 0.0037 (15 and −0.0198 (15 Å], and their mean planes are oriented at 80.10 (5 and 65.97 (4° with respect to the furan rings in molecules A and B, respectively. In the crystal, pairs of C—H...N hydrogen bonds link the B molecules, forming inversion dimers. These dimers are bridged by the A molecules via C—H...O hydrogen bonds, forming sheets parallel to (011. There are also C—H...π interactions present, and π–π interactions between neighbouring furan and the indazole rings [centroid–centroid distance = 3.8708 (9 Å] of inversion-related molecules, forming a three-dimensional structure.

  3. 2-Arylbenzo[b]furan derivatives as potent human lipoxygenase inhibitors.

    Science.gov (United States)

    Lang, Li; Dong, Ningning; Wu, Deyan; Yao, Xue; Lu, Weiqiang; Zhang, Chen; Ouyang, Ping; Zhu, Jin; Tang, Yun; Wang, Wei; Li, Jian; Huang, Jin

    2016-01-01

    Human lipoxygenases (LOXs) have been emerging as effective therapeutic targets for inflammatory diseases. In this study, we found that four natural 2-arylbenzo[b]furan derivatives isolated from Artocarpus heterophyllus exhibited potent inhibitory activities against human LOXs, including moracin C (1), artoindonesianin B-1 (2), moracin D (3), moracin M (4). In our in vitro experiments, compound 1 was identified as the most potent LOX inhibitor and the moderate subtype selective inhibitor of 12-LOX. Compounds 1 and 2 act as competitive inhibitors of LOXs. Moreover, 1 significantly inhibits LTB4 production and chemotactic capacity of neutrophils, and is capable of protecting vascular barrier from plasma leakage in vivo. In addition, the preliminary structure-activity relationship analysis was performed based on the above four naturally occurring (1-4) and six additional synthetic 2-arylbenzo[b]furan derivatives. Taken together, these 2-arylbenzo[b]furan derivatives, as LOXs inhibitors, could represent valuable leads for the future development of therapeutic agents for inflammatory diseases.

  4. Design, synthesis and pharmacological evaluation of some novel derivatives of 1-{[3-(furan-2-yl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazine

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    Jagdish Kumar

    2017-01-01

    Full Text Available A novel series of 1-{[3-(furan-2-yl-5-substituted phenyl-4,5-dihydro-1,2-oxazol-4-yl]methyl}-4-methyl piperazine, compounds 3a–l have been synthesized. The synthetic work was carried out beginning from 2-acetylfuran through Claisen Schmidt condensation with different types of aromatic aldehyde, affording 1-(furan-2-yl-3-substitutedphenylprop-2-en-1-ones which on cyclization with hydroxylamine hydrochloride resulted in 3-(furan-2-yl-5-substitutedphenyl-4,5-dihydro-1,2-oxazole formation. The isoxazolines were subjected to Mannich’s reaction in the presence of N-methyl piperazine to produce the desired product. The chemical structures of the compounds were proved by IR, 1H NMR, 13C-NMR and Mass spectrometric data. The antidepressant activities of the compounds were investigated by Porsolt’s behavioral despair (forced swimming test on albino mice. Moreover, the antianxiety activity of the newly synthesized compounds was investigated by the plus maze method. Compounds 3a and 3k reduced the duration of immobility times of 152.00–152.33% at 10 mg/kg dose level and compounds 3a and 3k have also shown significant antianxiety activity.

  5. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan.

    Science.gov (United States)

    Liu, Dong; Togbé, Casimir; Tran, Luc-Sy; Felsmann, Daniel; Oßwald, Patrick; Nau, Patrick; Koppmann, Julia; Lackner, Alexander; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, René; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2014-03-01

    Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has - to the best of our knowledge - not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (φ=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the

  6. Furan and Alkylated Furans in Heat Processed Food, Including Home Cooked Products

    DEFF Research Database (Denmark)

    Fromberg, Arvid; Mariotti, Maria S.; Pedreschi, Franco

    2014-01-01

    of carbohydrates. Interestingly, breakfast cereals, dry bread products, and dried fruit products including raisins, plums and bananas contained furan at levels up to 387 mu g/kg. Furan was also found in the dry ingredients of cookies and bread, and in snacks such as crisps and popcorn. The 2-alkylfurans, 2...

  7. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran.

    Science.gov (United States)

    Togbé, Casimir; Tran, Luc-Sy; Liu, Dong; Felsmann, Daniel; Oßwald, Patrick; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, René; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2014-03-01

    This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (φ=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model.

  8. Polyamide copolymers having 2,5-furan dicarboxamide units

    Science.gov (United States)

    Chisholm, Bret Ja; Samanta, Satyabrata

    2017-09-19

    Polyamide copolymers, and methods of making and using polyamide copolymers, having 2,5-furan dicarboxamide units are disclosed herein. Such polymers can be useful for engineering thermoplastics having advantageous physical and/or chemical properties.

  9. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part III: 2,5-Dimethylfuran

    Science.gov (United States)

    Togbé, Casimir; Tran, Luc-Sy; Liu, Dong; Felsmann, Daniel; Oßwald, Patrick; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, René; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2013-01-01

    This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (φ=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model. PMID:24518851

  10. Titanium(III) chloride mediated synthesis of furan derivatives ...

    Indian Academy of Sciences (India)

    Administrator

    a radical-induced synthesis of substituted furans from α-bromo-β-keto enoleth- ers using tributyl tinhydride (TBTH) as the radical initiator with 35–69% yield. But the use of tin com- pounds has certain limitations due to their toxicity and difficulties in isolation of pure products free of tin residues. To overcome these difficulties ...

  11. Furan in roasted, ground and brewed coffee

    Science.gov (United States)

    Gruczyńska, Eliza; Kowalska, Dorota; Kozłowska, Mariola; Majewska, Ewa; Tarnowska, Katarzyna

    2018-01-01

    Coffee is the most popular hot beverage in the world. The annual coffee production in 2010, 2014 and 2016 was 8.1, 9.0 and 9.3 million tons respectively. There are more than 100 coffee species, but only two of them: Arabica (Coffea arabica) and Robusta (Coffea canephora) have gained commercial importance. During roasting of green coffee beans not only desirable compounds are formed, that exert positive influence on the taste and flavour of coffee, but also small quantities of undesirable ones. Furan (C4H4O) is one of the latter. Furan is a volatile compound (boiling temp. of 31.4 oC) formed during thermal processing of food. The toxicity of furan has been well documented and it is classified as “possible human carcinogen” (Group 2B) by the International Agency for Research on Cancer. Various pathways have been reported for furan formation during food processing. It can be formed from carbohydrates, amino acids by their thermal degradation or thermal re-arrangement and by oxidation of ascorbic acid and polyunsaturated acids and carotenoids. High concentrations of furan have been reported in coffee, baked and roasted food and in food subjected to preserving in cans and jars. Furan levels in brewed coffee are typically near or below 120 μg/L, but it can approach thousands μg/kg in roasted whole beans or ground coffee. The highest concentration of furan in roasted coffee reaches the level of 7000 μg/kg. Taking into account that coffee is the most popular hot drink, it becomes the main contributor to furan exposure from dietary sources for adults. In this article the published scientific papers concerned with the presence of furan in roasted non-brewed and brewed coffee have been reviewed. The formation mechanisms and occurrence of furan in coffee and the harmful influence of furan on the consumer health have been discussed.

  12. A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes

    International Nuclear Information System (INIS)

    Fahleson, Tobias; Norman, Patrick; Coriani, Sonia; Rizzo, Antonio; Rikken, Geert L. J. A.

    2013-01-01

    We report on the results of a systematic ab initio study of the Jones birefringence of noble gases, of furan homologues, and of monosubstituted benzenes, in the gas phase, with the aim of analyzing the behavior and the trends within a list of systems of varying size and complexity, and of identifying candidates for a combined experimental/theoretical study of the effect. We resort here to analytic linear and nonlinear response functions in the framework of time-dependent density functional theory. A correlation is made between the observable (the Jones constant) and the atomic radius for noble gases, or the permanent electric dipole and a structure/chemical reactivity descriptor as the para Hammett constant for substituted benzenes

  13. Propriedades de pasta de amidos de arroz nativo e acetilados Pasting properties of native and acetylated rice starches

    Directory of Open Access Journals (Sweden)

    Josiane Bartz

    2012-05-01

    Full Text Available O amido de arroz apresenta características favoráveis a muitas aplicações industriais; no entanto, a natureza hidrofílica do amido na forma nativa pode apresentar algumas limitações para determinados tipos de processamento. Neste estudo, amido de arroz com médio teor de amilose foi acetilado sob catálise alcalina em duas condições reacionais para produzir acetatos de amido com diferentes graus de substituição (GS. A introdução de grupos acetila ao amido foi confirmada por espectroscopia de infravermelho com transformada de Fourier (FT-IV e os acetatos de amido produzidos foram avaliados quanto às suas propriedades de pasta em viscoamilógrafo (RVA. A acetilação ocasionou reduções em todas as propriedades de pasta avaliadas (temperatura de pasta, viscosidade mínima, pico de viscosidade, viscosidade final e tendência à retrogradação, sendo a redução mais intensa no amido acetilado com maior GS.Rice starch has characteristics suitable to many industrial applications, however, the hydrophilic nature of the starch in native form may present some limitations for some uses. In this study, rice starch with medium amylose content was acetylated under alkaline catalysis on two reaction conditions to produce starch acetates with different degrees of substitution (DS. The introduction of acetyl groups to the starch was confirmed by infrared Fourier transform (FT-IR and starch acetates produced were evaluated for their paste properties in viscoelastograf (RVA. Acetylation caused reductions in all properties paste (paste temperature, minimum viscosity, peak viscosity, final viscosity and retrogradation tendency being the most intense reduction in acetylated starch with greater GS.

  14. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part I: Furan

    Science.gov (United States)

    Liu, Dong; Togbé, Casimir; Tran, Luc-Sy; Felsmann, Daniel; Oßwald, Patrick; Nau, Patrick; Koppmann, Julia; Lackner, Alexander; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, René; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2013-01-01

    Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has – to the best of our knowledge – not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (φ=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the

  15. Propriedades de pasta de amidos de arroz nativo e acetilados

    OpenAIRE

    Bartz,Josiane; Madruga,Karina Medeiros; Klein,Bruna; Pinto,Vânia Zanella; Dias,Álvaro Renato Guerra

    2012-01-01

    O amido de arroz apresenta características favoráveis a muitas aplicações industriais; no entanto, a natureza hidrofílica do amido na forma nativa pode apresentar algumas limitações para determinados tipos de processamento. Neste estudo, amido de arroz com médio teor de amilose foi acetilado sob catálise alcalina em duas condições reacionais para produzir acetatos de amido com diferentes graus de substituição (GS). A introdução de grupos acetila ao amido foi confirmada por espectroscopia de i...

  16. Comparative experimental and modeling study of the low- to moderate-temperature oxidation chemistry of 2,5-dimethylfuran, 2-methylfuran, and furan

    KAUST Repository

    Tran, Luc-Sy; Wang, Zhandong; Carstensen, Hans-Heinrich; Hemken, Christian; Battin-Leclerc, Fré dé rique; Kohse-Hö inghaus, Katharina

    2017-01-01

    The reaction chemistry of furanic fuels, proposed as next-generation bio-derived fuels, has been a target of recent studies. However, quantitative intermediate species profiles at low- to moderate-temperature (LMT) conditions remain scarce. The present paper reports the first systematic full speciation dataset in the temperature range 730–1170 K for three furanic fuels, 2,5-dimethylfuran (DMF), 2-methylfuran (MF), and furan, measured for different equivalence ratios under near-identical LMT conditions in a flow reactor at 1 bar. More than 35 species including reactants, intermediate species, and products were analyzed using electron ionization (EI) molecular-beam mass spectrometry (MBMS). These experimental results provided motivation to extend a previous single joint mechanism for the three furanic fuels, developed for the high-temperature regime in low-pressure premixed flames, to include the LMT oxidation chemistry. A decisive difference of the present mechanism versus all previously reported models is a more complete description of fuel radical reactions for LMT oxidation, obtained from theoretical calculations of thermodynamic properties and rate constants. The experimentally observed differences in fuel conversion behavior and species distribution between the three fuels have been compared to model predictions using the newly extended mechanism. The dependence of fuel conversion on equivalence ratio decreases significantly from DMF to furan, a behavior consistent with the different number of lateral methyl groups in the fuel structure. All three furanic fuels, especially DMF, produce several highly toxic oxygenated species including acrolein, methyl vinyl ketone, furfural, and phenol. These toxic species were found to be products of the primary reactions of these fuels, and these undesirable trends could be explained satisfactorily by the present model, pointing to some caution with regard to the potential emission spectra under LMT conditions.

  17. Comparative experimental and modeling study of the low- to moderate-temperature oxidation chemistry of 2,5-dimethylfuran, 2-methylfuran, and furan

    KAUST Repository

    Tran, Luc-Sy

    2017-04-21

    The reaction chemistry of furanic fuels, proposed as next-generation bio-derived fuels, has been a target of recent studies. However, quantitative intermediate species profiles at low- to moderate-temperature (LMT) conditions remain scarce. The present paper reports the first systematic full speciation dataset in the temperature range 730–1170 K for three furanic fuels, 2,5-dimethylfuran (DMF), 2-methylfuran (MF), and furan, measured for different equivalence ratios under near-identical LMT conditions in a flow reactor at 1 bar. More than 35 species including reactants, intermediate species, and products were analyzed using electron ionization (EI) molecular-beam mass spectrometry (MBMS). These experimental results provided motivation to extend a previous single joint mechanism for the three furanic fuels, developed for the high-temperature regime in low-pressure premixed flames, to include the LMT oxidation chemistry. A decisive difference of the present mechanism versus all previously reported models is a more complete description of fuel radical reactions for LMT oxidation, obtained from theoretical calculations of thermodynamic properties and rate constants. The experimentally observed differences in fuel conversion behavior and species distribution between the three fuels have been compared to model predictions using the newly extended mechanism. The dependence of fuel conversion on equivalence ratio decreases significantly from DMF to furan, a behavior consistent with the different number of lateral methyl groups in the fuel structure. All three furanic fuels, especially DMF, produce several highly toxic oxygenated species including acrolein, methyl vinyl ketone, furfural, and phenol. These toxic species were found to be products of the primary reactions of these fuels, and these undesirable trends could be explained satisfactorily by the present model, pointing to some caution with regard to the potential emission spectra under LMT conditions.

  18. Irreversible endo-Selective Diels–Alder Reactions of Substituted Alkoxyfurans: A General Synthesis of endo-Cantharimides

    Science.gov (United States)

    Foster, Robert W; Benhamou, Laure; Porter, Michael J; Bučar, Dejan-Krešimir; Hailes, Helen C; Tame, Christopher J; Sheppard, Tom D

    2015-01-01

    The [4+2] cycloaddition of 3-alkoxyfurans with N-substituted maleimides provides the first general route for preparing endo-cantharimides. Unlike the corresponding reaction with 3H furans, the reaction can tolerate a broad range of 2-substitued furans including alkyl, aromatic, and heteroaromatic groups. The cycloaddition products were converted into a range of cantharimide products with promising lead-like properties for medicinal chemistry programs. Furthermore, the electron-rich furans are shown to react with a variety of alternative dienophiles to generate 7-oxabicyclo[2.2.1]heptane derivatives under mild conditions. DFT calculations have been performed to rationalize the activation effect of the 3-alkoxy group on a furan Diels–Alder reaction. PMID:25756502

  19. Synthesis of Symmetrical and Asymmetrical Azines Encompassing Naphtho[2,1-b]furan by a Novel Approach

    OpenAIRE

    Veena, K.; Ramaiah, M.; Vanita, G. K.; Avinash, T. S.; Vaidya, V. P.

    2011-01-01

    The starting material 3-nitro-2-acetylnaphtho[2,1-b]furan (2) was obtained by nitration of 2-acetylnaphtho[2,1-b] furan (1), under mild condition. The compound 1 was synthesized by the reaction of 2-hydroxy-1-naphthaldehyde with chloroacetone, where in both condensation and cyclization took place in single step. The reaction of 3-nitro-2-acetylnaphtho[2,1-b]furan (2) with hydrazine hydrate produced corresponding hydrazone (3) in excellent yield, which on treatment with various aromatic aldehy...

  20. Influence of electron delocalization in heterocyclic core systems on the electrochemical communication in 2,5-di- and 2,3,4,5-tetraferrocenyl thiophenes, furans, and pyrroles.

    Science.gov (United States)

    Hildebrandt, Alexander; Schaarschmidt, Dieter; Claus, Ron; Lang, Heinrich

    2011-11-07

    A series of 2,5-di- and 2,3,4,5-tetraferrocenyl-substituted thiophenes, furans, and pyrroles were synthesized using the Negishi C,C cross-coupling protocol. The electronic and electrochemical properties of these compounds were investigated by cyclic voltammetry (CV), square wave voltammetry (SWV), and in situ UV-vis/NIR spectroscopy. The molecular structures of 2,5-diferrocenyl furan and 2,3,4,5-tetraferrocenyl-1-methyl-1H-pyrrole in the solid state are discussed. The ferrocenyls could sequentially be oxidized giving two or four reversible responses for the appropriate di- or tetraferrocenyl-substituted heterocyclic molecules. The observed ΔE°' values range between 186 and 450 mV. The NIR measurements confirm electronic communication as intervalence charge transfer (IVCT) absorptions were found in the corresponding mono- and in case of the tetraferrocenyl compounds also in the dicationic species. All compounds, except tetraferrocenyl thiophene (a class I system), were classified as class II systems according to Robin and Day. They show a linear relationship between ΔE°' and the IVCT oscillator strength f which could be shown for the first time in organometallic chemistry. This was possible because the series of molecules exhibit analogous geometries and hence, similar electrostatic properties. This correlation was confirmed by electro- and spectro-electrochemical measurements. Within these studies a new approach for the estimation of the effective electron transfer distances r(ab) is discussed. © 2011 American Chemical Society

  1. Crystal structure of 2-cyano-N-(furan-2-ylmethylacetamide

    Directory of Open Access Journals (Sweden)

    Shivanna Subhadramma

    2015-07-01

    Full Text Available In the title compound, C8H8N2O2, the acetamide unit is inclined to the furan ring by 76.7 (1°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, generating C(4 chains along [100]. The carbonyl O atom is a bifurcated acceptor and an R12(6 ring is formed.

  2. Synthesis and solar-cell applications of novel furanyl-substituted anthracene derivatives

    Science.gov (United States)

    Kivrak, Arif; Er, Ömer Faruk; Kivrak, Hilal; Topal, Yasemin; Kuş, Mahmut; Çamlısoy, Yesim

    2017-11-01

    At present, novel furanyl-substituted anthracene derivatives; namely 9,10-di(furan-2-yl)anthracene (DFA), 5,5‧-(anthracene-9,10-diyl)bis(furan-2-carbaldehyde) (DAFA) and 2,2‧-((5,5‧-(anthracene-9,10-diyl)bis(furan-5,2-diyl))bis(methanylylidene))dimalononitrile (DCNFA) were designed and synthesized successfully by employing Stille Cross-Coupling, Vilsmeier-Haack and Knoevenagel condensation reactions, respectively. This methodology provides a practical new route for the synthesis of furanyl-substituted anthracene derivatives bearing strong electron-withdrawing groups. The electrochemical and electro-optical properties of these novel furanyl-substituted anthracene derivatives were also examined with strong acceptor-π-donor-π-acceptor interactions. Furthermore, Highest occupied molecular orbital (HOMO), Lowest Unoccupied molecular orbital (LUMO), and band gap (Eg) values were investigated by using spectroscopic methods. Electrochemical and electro-optical properties were calculated and compared to DFA, DAFA and DCNFA. Eg was found as 2.85, 2.71, and 2.33 eV, respectively. Consequently, Organic Solar Cells (OSC) were fabricated to investigate their solar cell performances. The strong electron withdrawing groups did not increase the solar cell performance of furanyl-anthracenes. Surprisingly, DFA was found to exhibit the best OSCs performance (Efficiency = 3.36). As a result, one could note that these novel furanyl-substituted anthracene derivatives are good candidate for the applications of the OSCs. Our results might help in the development of new materials with important electrochemical functions by giving the advantage of designing and further derivatization of new generation small organic molecules for photovoltaic device applications.

  3. 2-[1-(Methylsulfanylnaphtho[2,1-b]furan-2-yl]acetic acid

    Directory of Open Access Journals (Sweden)

    Uk Lee

    2008-02-01

    Full Text Available The title compound, C15H12O3S, was prepared by alkaline hydrolysis of ethyl 2-{1-(methylsulfanylnaphtho[2,1-b]furan-2-yl}acetate. The crystal structure is stabilized by CH2—H...π interactions between the methyl H atoms of the methylsulfanyl substituent and the central benzene ring of the naphthofuran system, and by inversion-related intermolecular O—H...O hydrogen bonds between the carboxyl groups.

  4. Synthesis of peptide thioacids at neutral pH using bis(2-sulfanylethyl)amido peptide precursors.

    Science.gov (United States)

    Pira, Silvain L; Boll, Emmanuelle; Melnyk, Oleg

    2013-10-18

    Reaction of bis(2-sulfanylethyl)amido (SEA) peptides with triisopropylsilylthiol in water at neutral pH yields peptide thiocarboxylates. An alkylthioester derived from β-alanine was used to trap the released bis(2-sulfanylethyl)amine and displace the equilibrium toward the peptide thiocarboxylate.

  5. Synthesis and Antitumor Molecular Mechanism of Agents Based on Amino 2-(3′,4′,5′-Trimethoxybenzoyl)-benzo[b]furan: Inhibition of Tubulin and Induction of Apoptosis

    Science.gov (United States)

    Baraldi, Pier Giovanni; Lopez-Cara, Carlota; Cruz-Lopez, Olga; Carrion, Maria Dora; Salvador, Maria Kimatrai; Bermejo, Jaime; Estévez, Sara; Estévez, Francisco; Balzarini, Jan; Brancale, Andrea; Ricci, Antonio; Chen, Longchuan; Kim, Jae Gwan; Hamel, Ernest

    2011-01-01

    Induction of apoptosis is a promising strategy that could lead to the discovery of new molecules active in cancer chemotherapy. This property is generally observed when cells are treated with agents that target microtubules, dynamic structures that play a crucial role in cell division. Small molecules such as benzo[b]furans are attractive as inhibitors of tubulin polymerization. A new class of inhibitors of tubulin polymerization based on the 2-(3′,4′,5′-trimethoxybenzoyl)benzo[b]furan molecular skeleton, with the amino group placed at different positions on the benzene ring, were synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization, and cell-cycle effects. The methoxy substitution pattern on the benzene portion of the benzo[b]furan moiety played an important role in affecting antiproliferative activity. In the series of 5-amino derivatives, the greatest inhibition of cell growth oc curred if the methoxy substituent is placed at the C6 position, whereas C7 substitution decreases potency. The most promising compound in this series is 2-(3′,4′,5′-trimethoxybenzoyl)-3-methyl-5-amino-6-methoxybenzo[b]furan (3h), which inhibits cancer cell growth at nanomolar concentrations (IC50=16–24 nm), and interacts strongly with tubulin by binding to the colchicine site. Sub-G1 apoptotic cells in cultures of HL-60 and U937 cells were observed by flow cytometric analysis after treatment with 3h in a concentration-dependent manner. We also show that compound 3h induces apoptosis by activation of caspase-3, -8, and -9, and this is associated with cytochrome c release from mitochondria. The introduction of an α-bromoacryloyl group increased antiproliferative activity with respect to the parent amino derivatives. PMID:21805646

  6. Novel bioreducible poly(amido amine)s for highly efficient gene delivery

    NARCIS (Netherlands)

    Lin, C.; Zhong, Zhiyuan; Lok, Martin C.; Jiang, Xulin; Hennink, Wim E.; Feijen, Jan; Engbersen, Johannes F.J.

    2007-01-01

    A series of novel bioreducible poly(amido amine)s containing multiple disulfide linkages (SS-PAAs) were synthesized and evaluated as nonviral gene vectors. These linear SS-PAAs could be easily obtained by Michael-type polyaddition of various primary amines to the disulfide-containing cystamine

  7. 2-Methyl-1-(3-methylphenylsulfonylnaphtho[2,1-b]furan

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2014-04-01

    Full Text Available In the title compound, C20H16O3S, the dihedral angle between the mean planes of the naphthofuran and 3-methylphenyl fragments is 88.56 (2°. In the crystal, molecules are linked via pairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are linked by π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.701 (2 Å] into supramolecular chains running along the a-axis direction.

  8. Acute toxicity of 5-(furan-2-yl, 2-metylfuran-3-yl-4-amino-1,2,4-triazole-3-thiol alkyl derivatives

    Directory of Open Access Journals (Sweden)

    D. M. Danilchenko

    2017-09-01

    Full Text Available The purpose of our work was the further exploration of the new 5-(furan-2-yl, 2-metylfuran-3-yl-4-amino-1,2,4-triazole-3-thiol alkyl derivatives’ acute toxicity, setting some patterns of alkyl substituents influence by the Sulfur atom on the acute toxicity. Research materials and methods. In this study we used first time synthesized 5-(furan-2-yl, 2-metylfuran-3-yl-4-amino-4H-1,2,4-triazole-3-thione derivatives. Acute toxicity was conducted on white rats weighing 160–250 g, which were injected once intraperitoneally with the investigated substances. The rats were received from the nursery of the Pharmacology and Toxicology Institute of Ukraine Medical Sciences Academy. The animals were kept on a standard diet with natural light mode "day-night". Results and their discussion. After the acute toxicity studies in a group of 5-(furan-2-yl, 2-metylfuran-3-yl-4-amino-4H-1,2,4-triazole 3-alkyl derivatives it was found that among all studied structures the most toxic was 2e, LD50 of which was 263 mg/kg, and the least toxic compound was 2a, LD50 of which was 1570 mg/kg, that belongs to the V toxicity class. After comparing the acute toxicity of well-known antimycotic agent fluconazole with the studied compounds it can be argued that most compounds are less toxic than the comparison drug fluconazole with the index of LD50 ˃320 mg/kg. It was found that the transition in a group from butyl to decyl, octyl, ventyl, propyl, nonyl and heptyl substituents in the molecule of 3-alkylthio 5-(furan-2-yl-4-amino-4H-1,2,4-triazole is accompanied by the toxicity increasing. Speaking about the 5-(2-metylfuran-3-yl-4-amino-4H-1,2,4-triazole 3-alkylthio derivatives we can find that this dependence is observed in a number from propyl, pentyl, nonil, butyl, heksyl, octyl and heptyl hydrocarbon chains. Conclusions. The investigated 3-alkylthio 5-(furan-2-yl, 2-metylfuran-3-yl-4-amino-4H-1,2,4-triazole derivatives belong to the IV-V toxicity class. The toxicity of 5

  9. Furan Occurrence in Starchy Food Model Systems Processed at High Temperatures: Effect of Ascorbic Acid and Heating Conditions

    DEFF Research Database (Denmark)

    Mariotti, María; Granby, Kit; Fromberg, Arvid

    2012-01-01

    Furan, a potential carcinogen, has been detected in highly consumed starchy foods, such as bread and snacks; however, research on furan generation in these food matrixes has not been undertaken, thus far. The present study explored the effect of ascorbic acid addition and cooking methods (frying...

  10. Fast Sampling and Analysis of Offgas Dioxins/Furans Using a Thermal Desorption-Gas Chromatography-High Resolution Mass Spectrometry Method

    International Nuclear Information System (INIS)

    Whitworth, C. G.; Rees, R. T.; Reick, K. G.; Montgomery, J. L.; Battleson, D. M.; LeFever, J.; Sears, L. J.

    2002-01-01

    The United States Department of Energy is using or evaluating several Alternatives-to- Incineration (ATI) technologies for treating hazardous wastes and low-level mixed wastes. ATI treatment technologies may have the potential for generating gaseous or other emissions of polychlorinated dioxins/furans, a class of highly toxic compounds which are regulated to very low levels. At present, the emission limit for dioxins/furans from hazardous waste incinerators is 0.2 ng TEQ/dscm (0.4 ng TEQ/dscm w/TC). Emissions from ATI technologies are expected to be subject to similar restrictions

  11. Optimal Experimental Design of Furan Shock Tube Kinetic Experiments

    KAUST Repository

    Kim, Daesang

    2015-01-07

    A Bayesian optimal experimental design methodology has been developed and applied to refine the rate coefficients of elementary reactions in Furan combustion. Furans are considered as potential renewable fuels. We focus on the Arrhenius rates of Furan + OH ↔ Furyl-2 + H2O and Furan ↔ OH Furyl-3 + H2O, and rely on the OH consumption rate as experimental observable. A polynomial chaos surrogate is first constructed using an adaptive pseudo-spectral projection algorithm. The PC surrogate is then exploited in conjunction with a fast estimation of the expected information gain in order to determine the optimal design in the space of initial temperatures and OH concentrations.

  12. Extraction and quantitation of furanic compounds dissolved in oils

    International Nuclear Information System (INIS)

    Koreh, O.; Torkos, K.; Mahara, M.B.; Borossay, J.

    1998-01-01

    Furans are amongst the decomposition products which are generated by the degradation of cellulose in paper. Paper insulation is used in capacitors, cables and transformers. These furans dissolve in the impregnating mineral oil, and a method, involving liquid/liquid extraction, solid phase extraction and high performance liquid chromatography, has been developed to determine the concentration of 2-furfural the most stable compound in oil. The degradation of paper is being examined in order to find correlation between the change in dielectric and mechanical properties and the increase in concentration of 2-furfural in the oil. (author)

  13. Trapping of cis-2-butene-1,4-dial to measure furan metabolism in human liver microsomes by cytochrome P450 enzymes.

    Science.gov (United States)

    Gates, Leah A; Lu, Ding; Peterson, Lisa A

    2012-03-01

    Furan is a liver toxicant and carcinogen in rodents. It is classified as a possible human carcinogen, but the human health effects of furan exposure remain unknown. The oxidation of furan by cytochrome P450 (P450) enzymes is necessary for furan toxicity. The product of this reaction is the reactive α,β-unsaturated dialdehyde, cis-2-butene-1,4-dial (BDA). To determine whether human liver microsomes metabolize furan to BDA, a liquid chromatography/tandem mass spectrometry method was developed to detect and quantify BDA by trapping this reactive metabolite with N-acetyl-l-cysteine (NAC) and N-acetyl-l-lysine (NAL). Reaction of NAC and NAL with BDA generates N-acetyl-S-[1-(5-acetylamino-5-carboxypentyl)-1H-pyrrol-3-yl]-l-cysteine (NAC-BDA-NAL). Formation of NAC-BDA-NAL was quantified in 21 different human liver microsomal preparations. The levels of metabolism were comparable to that observed in F-344 rat and B6C3F1 mouse liver microsomes, two species known to be sensitive to furan-induced toxicity. Studies with recombinant human liver P450s indicated that CYP2E1 is the most active human liver furan oxidase. The activity of CYP2E1 as measured by p-nitrophenol hydroxylase activity was correlated to the extent of NAC-BDA-NAL formation in human liver microsomes. The formation of NAC-BDA-NAL was blocked by CYP2E1 inhibitors but not other P450 inhibitors. These results suggest that humans are capable of oxidizing furan to its toxic metabolite, BDA, at rates comparable to those of species sensitive to furan exposure. Therefore, humans may be susceptible to furan's toxic effects.

  14. Chlorido{[(E-2-(diphenylphosphanylbenzylidene](furan-2-ylmethylamine-κP}gold(I

    Directory of Open Access Journals (Sweden)

    Haleden Chiririwa

    2013-01-01

    Full Text Available In the title complex, [AuCl(C24H20NOP], the ligand has N, P and O electron-donating atoms but the AuI atom is coordinated only by the `soft' P atom and an additional Cl atom in an almost linear fashion. Important geometrical parameters include Au—P = 2.2321 (13 Å, Au—Cl = 2.2820 (13 Å and P—Au—Cl = 176.49 (5°. The furan ring is disordered over two positions in a 0.51 (2:0.49 (2 ratio.

  15. Synthesis of Symmetrical and Asymmetrical Azines Encompassing Naphtho[2,1-b]furan by a Novel Approach

    Directory of Open Access Journals (Sweden)

    K. Veena

    2011-01-01

    Full Text Available The starting material 3-nitro-2-acetylnaphtho[2,1-b]furan (2 was obtained by nitration of 2-acetylnaphtho[2,1-b] furan (1, under mild condition. The compound 1 was synthesized by the reaction of 2-hydroxy-1-naphthaldehyde with chloroacetone, where in both condensation and cyclization took place in single step. The reaction of 3-nitro-2-acetylnaphtho[2,1-b]furan (2 with hydrazine hydrate produced corresponding hydrazone (3 in excellent yield, which on treatment with various aromatic aldehydes under different reaction conditions resulted in the formation of symmetrical azines (4a-e and unsymmetrical azines (5a-e. All the newly synthesized compounds have been characterized by analytical and spectral studies and were screened for antibacterial antibacterial activity against Bacillus subtilus and Alcaligenes fecalies and antifungal activity against Aspergillus nidulans, Aspergillus parasiticus and Aspergillus terrus. The Second Harmonic Generation (SHG efficiency of some of the synthesized compounds was measured by powder technique using Nd:YAG laser.

  16. Crystal structure of 2-cyano-N-(furan-2-ylmethyl-3-(3-nitrophenylpropanamide

    Directory of Open Access Journals (Sweden)

    Shivanna Subhadramma

    2015-08-01

    Full Text Available In the title compound, C15H11N3O4, the acetamide group is inclined to the furan ring by 66.5 (1°. The dihedral angle between the furan ring and the benzene ring is 66.8 (1°. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with an R22(12 ring motif. The dimers are linked via two pairs of C—H...O hydrogen bonds to the same acceptor oxygen atom, enclosing R21(6 ring motifs, forming chains along the [101] direction.

  17. Microwave-assisted efficient synthesis of 2-arylbenzo[b]furans and 2 ...

    Indian Academy of Sciences (India)

    ferrocenylbenzo[b]furans from readily prepared propargylic alcohols, ... reported microwave-enhanced Sonogashira coupling and cyclization reactions on alumina,10c but his method needs expensive trimethylsilyl-acetylene as monopro-.

  18. Synchrotron Photoionization Study of Furan and 2-Methylfuran Reactions with Methylidyne Radical (CH) at 298 K.

    Science.gov (United States)

    Carrasco, Erica; Smith, Kenneth J; Meloni, Giovanni

    2018-01-11

    The reactions of furan and 2-methylfuran with methylidyne CH (X 2 Π) radical were investigated at 298 K using synchrotron radiation produced at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Reaction products were observed by multiplexed photoionization mass spectrometry and characterized based on their photoionization spectra and kinetic time traces. Primary products observed in furan + CH are 2,4-cyclopentadien-1-one (m/z = 80), 2-penten-4-ynal (m/z = 80), and vinylacetylene (m/z = 52). From 2-methylfuran + CH, 2-4-cyclopentadien-1-carbaldehyde (m/z = 94), 2,3,4-hexatrienal (m/z = 94), 1,3 cyclopentadiene (m/z = 66), 3-penten-1-yne (Z) (m/z = 66), and vinylacetylene (m/z = 52) are the primary products observed. Using potential energy surface scans, thermodynamically favorable reaction pathways are proposed. CH addition to the π-bonds in furan and 2-methylfuran rings was found to be the entrance channel that led to formation of all identified primary products. Both reactions follow patterns of H loss and CHO loss, as well as formation of cyclic and acyclic isomers.

  19. Ab initio and matrix isolation study of the acetylene-furan dimer

    International Nuclear Information System (INIS)

    Sanchez-Garcia, Elsa; Mardyukov, Artur; Tekin, Adem; Crespo-Otero, Rachel; Montero, Luis A.; Sander, Wolfram; Jansen, Georg

    2008-01-01

    Five acetylene-furan dimer structures are identified using ab initio calculations at the second-order Moller-Plesset (MP2) level of theory. The structures are stabilized by two basic types of intermolecular interactions: the CH...O and the CH...π interaction. The CH...π interaction appears in two variants, depending on which molecule provides the hydrogen atom and which molecule the π system. The MP2 results indicate that the CH...π interaction between one of the hydrogen atoms of acetylene and the π system of furan as found in structure A is the strongest interaction, followed by the in-plane CH...O interaction in the second most stable acetylene-furan dimer structure B. A matrix isolation study shows the acetylene-furan dimer to exist in an argon matrix, but likely rather as structure B than as A. High level coupled cluster calculations with up to triple excitations (CCSD(T)) yield the interaction energy of structure A as about -2.4 kcal/mol in the complete basis set limit and find structure B to be nearly isoenergetic with -2.3 kcal/mol. This is confirmed in calculations employing the density functional theory combined with symmetry adapted intermolecular perturbation theory (DFT-SAPT) approach yielding interaction energies of -2.3 and -2.0 kcal/mol for A and B, respectively. DFT-SAPT also helps to understand the importance of the electrostatic, induction and dispersion interaction energies and their respective exchange counterparts for the stability of the various acetylene-furan dimer structures. The CH...O and CH...π interactions are furthermore analyzed with the help of the atoms in molecules (AIM) theory

  20. A Furan-Thiophene-Based Quinoidal Compound: A New Class of Solution-Processable High-Performance n-Type Organic Semiconductor.

    Science.gov (United States)

    Xiong, Yu; Tao, Jingwei; Wang, Ruihao; Qiao, Xiaolan; Yang, Xiaodi; Wang, Deliang; Wu, Hongzhuo; Li, Hongxiang

    2016-07-01

    The furan-thiophene-based quinoidal organic semiconductor, TFT-CN, is designed and synthesized. TFT-CN displays a high electron mobility of 7.7 cm(2) V(-1) s(-1) , two orders of magnitude higher than the corresponding thiophene-based derivative. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Synthesis and H-1 NMR structural analysis of 11-aryl/heteroarylnaphtha[2,1-b]furans : X-ray crystal structure of 11-(4 '-pyridyl)naphtho[2,1-b]furan

    NARCIS (Netherlands)

    Mashraqui, S.H.; Patil, M.B.; Sangvikar, Y.; Ashraf, M.; Mistry, H.D.; Daub, E.T.H.; Meetsma, A.

    2005-01-01

    Synthesis of biaryl type systems, 11-aryl/heteroarylnaphtho[2,1-b]furans 8-11 has been described with a view to studying the conformational orientation of C-11 aryl/heteroaryl groups. Synthesis of 8-11 was accomplished by a two-step sequence involving O-alkylation of 2-naphthol with appropriate

  2. Multivariate optimization of headspace trap for furan and furfural simultaneous determination in sponge cake.

    Science.gov (United States)

    Cepeda-Vázquez, Mayela; Blumenthal, David; Camel, Valérie; Rega, Barbara

    2017-03-01

    Furan, a possibly carcinogenic compound to humans, and furfural, a naturally occurring volatile contributing to aroma, can be both found in thermally treated foods. These process-induced compounds, formed by close reaction pathways, play an important role as markers of food safety and quality. A method capable of simultaneously quantifying both molecules is thus highly relevant for developing mitigation strategies and preserving the sensory properties of food at the same time. We have developed a unique reliable and sensitive headspace trap (HS trap) extraction method coupled to GC-MS for the simultaneous quantification of furan and furfural in a solid processed food (sponge cake). HS Trap extraction has been optimized using an optimal design of experiments (O-DOE) approach, considering four instrumental and two sample preparation variables, as well as a blocking factor identified during preliminary assays. Multicriteria and multiple response optimization was performed based on a desirability function, yielding the following conditions: thermostatting temperature, 65°C; thermostatting time, 15min; number of pressurization cycles, 4; dry purge time, 0.9min; water / sample amount ratio (dry basis), 16; and total amount (water + sample amount, dry basis), 10g. The performances of the optimized method were also assessed: repeatability (RSD: ≤3.3% for furan and ≤2.6% for furfural), intermediate precision (RSD: 4.0% for furan and 4.3% for furfural), linearity (R 2 : 0.9957 for furan and 0.9996 for furfural), LOD (0.50ng furan g sample dry basis -1 and 10.2ng furfural g sample dry basis -1 ), LOQ (0.99ng furan g sample dry basis -1 and 41.1ng furfural g sample dry basis -1 ). Matrix effect was observed mainly for furan. Finally, the optimized method was applied to other sponge cakes with different matrix characteristics and levels of analytes. Copyright © 2016. Published by Elsevier B.V.

  3. Effects of certain polyphenols and extracts on furans and acrylamide formation in model system, and total furans during storage.

    Science.gov (United States)

    Oral, Rasim Alper; Dogan, Mahmut; Sarioglu, Kemal

    2014-01-01

    Using a glucose-glycine and asparagine-fructose system as a Maillard reaction model, the effects of seven polyphenols and solid phase extracts of three plants on the formation of furans and acrylamide were investigated. The polyphenols and extracts were used in biscuit formulation and acrylamide formation was observed. They were used for the storage of the glycine-glucose model system at three different temperatures. The addition of some of the extracts and polyphenols significantly decreased furan formation to different extents. All phenolic compounds and plant extracts decreased in the range of 30.8-85% in the model system except for oleuropein, and all of them decreased in the range of 10.3-19.2% in biscuit. Total furan formation was inhibited by caffeic acid, punicalagin, epicatechin, ECE and PPE during storage. This study evaluated and found the inhibitory effect on the formation of furans and acrylamide in Maillard reactions by the use of some plant extracts and polyphenols. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. On the catalytic gas phase oxidation of butadiene to furan

    Energy Technology Data Exchange (ETDEWEB)

    Kubias, B.; Rodemerck, U. [Institut fuer Angewandte Chemie Berlin-Adlershof e.V., Berlin (Germany); Ritschl, F.; Meisel, M. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Chemie

    1998-12-31

    Applying the thermochemical selectivity criterion of Hadnett et al. It is shown that the selectivity of the furan formation is not limited by a too low strength of the C-H bonds in furan when compared with the C-H bond dissociation energy in the educt molecule butadiene. In the oxidation of butadiene on a CsH{sub 2}PMo{sub 12}O{sub 40} catalyst a maximum yield of 22 mol% furan has been obtained. To improve this comparatively low furan yield oxidation activity of the catalyst must be lowered to prevent the consecutive reaction to maleic anhydride. (orig.)

  5. Synthesis and Bioactivity of N-Benzoyl-N'-[5-(2'-substituted phenyl-2-furoyl] Semicarbazide Derivatives

    Directory of Open Access Journals (Sweden)

    Zining Cui

    2010-06-01

    Full Text Available In order to find novel chitin synthesis inhibitors (CSIs with good activity, benzoylphenylurea, a typical kind of CSIs, was chosen as the lead compound and 15 novel derivatives containing furan moieties were designed by converting the urea linkage of benzoylphenylureas into a semicarbazide and changing the aniline part into furoyl groups. The title compounds were synthesized by the reaction of substituted benzoyl isocyanates with 5-(substituted phenyl-2-furoyl hydrazine, and the structures were confirmed by IR, 1H-NMR, elemental analysis and single crystal X-ray diffraction analyses (compound E2. The bioassay results indicated that the title compounds exhibit good insecticidal activity, especially towards Plutella xylostella L., but had lower fungicidal activity. Inspiringly, the title compounds possessed obvious anticancer activity against human promyelocytic leukemic cell line (HL-60, and some of the title compounds also had activity against human hepatocellular carcinoma cell line (Bel-7402, human gastric carcinoma cell line (BGC-823, and human nasopharyngeal carcinoma cell line (KB. The results indicated that the linkage in the lead compounds was important to the bioactivity and spectra. The modification on the urea linkage is an effective strategy to discover new pesticide and drug candidates.

  6. Estimation of exposure to furan in the Spanish population.

    Science.gov (United States)

    Mesías, Marta; Guerra-Hernández, Eduardo; García-Villanova, Belén

    2012-02-01

    The presence of furan in foods has received recent attention because of its association with harmful effects to human health. This compound, which is originated as a consequence of thermal treatment, is mainly found in canned, jarred, toasted and fried foods. The aim of this study was to estimate the exposure to furan in the Spanish population and to study the evolution of furan content in the main categories of foods in recent years, taking into account changes in dietary patterns. With respect to exposure to furan in the Spanish population from 2001 to 2009, no large differences were found. The maximum furan exposure recorded in this study (1.95 μg/kg bw/day) is lower than the 'no observable adverse effect level' of 0.08 mg/kg bw/day determined in the studies of experimental animals, and is close to the reported acceptable daily intake of 2 μg/kg bw/day.

  7. Relative importance and interactions of furan precursors in sterilised, vegetable-based food systems.

    Science.gov (United States)

    Palmers, Stijn; Grauwet, Tara; Buvé, Carolien; Vanratingen, Koen; Kebede, Biniam T; Goos, Peter; Hendrickx, Marc E; Van Loey, Ann

    2016-01-01

    Mitigation strategies aimed at an intervention in the reaction pathways for furan formation (e.g., by adjusting precursor concentrations) might offer an additional route for furan reduction in sterilised, vegetable-based foods, without adverse effects on other food safety or quality attributes. As a first step towards product reformulation, the aim of the present study was to determine the relative importance and interactions of possible furan precursors in these types of foods. Based on an I-optimal experimental design, potato purée (naturally low in furan precursors) was spiked with known amounts of sugars, ascorbic acid, olive oil and β-carotene, and subjected to a thermal sterilisation. Significant correlations were observed between furan concentrations after thermal treatment and starting concentrations of ascorbic acid and monosaccharides (i.e., fructose and glucose). Ascorbic acid had a clear furan-reducing effect as an antioxidant by protecting (polyunsaturated) fatty acids against oxidative degradation. Fructose and glucose were the main precursors, which can most probably be attributed to their high, but realistic, concentrations in the product. The contributions of fatty acids and β-carotene were strongly dependent on redox interactions with other food constituents. In the same potato purées, only low concentrations (0-2 ng g(-1) purée) of 2-methylfuran were detected, indicating that the direct importance of the spiked food constituents as a precursor for methylfuran formation was rather small. Based on the results of this study, reducing the amount of monosaccharides or adjusting the redox conditions of the matrix are suggested as two possible approaches for furan mitigation on the product side.

  8. Formation of furan and methylfuran by maillard-type reactions in model systems and food.

    Science.gov (United States)

    Limacher, Anita; Kerler, Josef; Davidek, Tomas; Schmalzried, Frank; Blank, Imre

    2008-05-28

    The formation of furan and 2-methylfuran was studied in model systems based on sugars and selected amino acids. Both compounds were preferably formed under roasting conditions in closed systems yielding up to 330 micromol of furan and 260 micromol of 2-methylfuran per mol of precursor. The amounts obtained under pressure cooking conditions were much lower, usually below 20 micromol/mol, except for 2-furaldehyde, which yielded 70-100 micromol/mol of furan. Labeling studies indicated two major formation pathways for both furans: (i) from the intact sugar skeleton and (ii) by recombination of reactive C(2) and/or C(3) fragments. Under roasting conditions in the absence of amino acids, furan was mainly formed from the intact sugar skeleton. Formic and acetic acid were identified as byproducts of sugar degradation, indicating the split off of C(1) and/or C(2) units from hexoses. The presence of alanine, threonine, or serine promoted furan formation by the recombination of C(2) fragments, such as acetaldehyde and glycolaldehyde, which may originate from both sugars and amino acids. In aqueous solution, about half of furan was generated by the recombination of sugar fragments. 2-Methylfuran was preferably formed in the presence of amino acids by aldol-type reactions of C(2) and C(3) fragments with lactaldehyde as a key intermediate, the Strecker aldehyde of threonine. The total furan levels in cooked vegetables were increased by spiking with hexoses. However, in pumpkin puree, only about 20% of furan was formed from sugars, preferably from the intact carbon skeleton.

  9. Presence of dioxins and furans in EDAR muds; Presencia de dioxinas y furanos en fangos de EDAR

    Energy Technology Data Exchange (ETDEWEB)

    Elvira, M.; Alonso, A.M.; Dominguez, A.; Lorenzo, P. de

    1997-12-31

    The polychlorodibenzyl-p-dioxins (PCDDs) and polychlorodibenzyl-furans (PCDFs) are two groups of organochklorated substances with similar structure and properties, which cover a total of 210 compounds and are characterised by their high persistence and toxicity. Of all the isomers, particularly toxic are those substituted in positions 2,3,7,and 8. The presence of these substances in EDAR muds make these appear, due to their enormous production, as a new source for the accumulation and transmission of said contaminants. On this matter, several countries have already established concentrations limits for these compounds in muds which are applied to agricultural land, in order to avoid or minimise the risk derived from their accumulation in the soil and in the trophic chain. (Author) 4 refs. u

  10. Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Yu-Ting; Huber, George W.

    2011-06-03

    The conversion of furan (a model of cellulosic biomass) over HZSM-5 was investigated in a thermogravimetric analysis–mass spectrometry system, in situ Fourier transform infrared analysis, and in a continuous-flow fixed-bed reactor. Furan adsorbed as oligomers at room temperature with a 1.73 of adsorbed furan/Al ratio. These oligomers were polycyclic aromatic compounds that were converted to CO, CO₂, aromatics, and olefins at temperatures from 400 to 600 °C. Aromatics (e.g., benzene, toluene, and naphthalene), oligomer isomers (e.g., benzofuran, 2,2-methylenebisfuran, and benzodioxane), and heavy oxygenates (C₁₂{sub +} oligomers) were identified as intermediates formed inside HZSM-5 at different reaction temperatures. During furan conversion, graphite-type coke formed on the catalyst surface, which caused the aromatics and olefins formation to deactivate within the first 30 min of time on-stream. We have measured the effects of space velocity and temperature for furan conversion to help us understand the chemistry of biomass conversion inside zeolite catalysts. The major products for furan conversion included CO, CO₂, allene, C₂–C₆ olefins, benzene, toluene, styrene, benzofuran, indene, and naphthalene. The aromatics (benzene and toluene) and olefins (ethylene and propylene) selectivity decreased with increasing space velocity. Unsaturated hydrocarbons such as allene, cyclopentadiene, and aromatics selectivity increased with increasing space velocity. The product distribution was selective to olefins and CO at high temperatures (650 °C) but was selective to aromatics (benzene and toluene) at intermediate temperatures (450–600 °C). At low temperatures (450 °C), benzofuran and coke contributed 60% of the carbon selectivity. Several different reactions were occurring for furan conversion over zeolites. Some important reactions that we have identified in this study include Diels–Alder condensation (e.g., two furans form benzofuran and water

  11. Impact of cooking and handling conditions on furanic compounds in breaded fish products.

    Science.gov (United States)

    Pérez-Palacios, T; Petisca, C; Henriques, R; Ferreira, I M P L V O

    2013-05-01

    This study evaluates the influence of cooking and handling conditions on the quantity of furanic compounds (furan, 2-furfural, furfuryl alcohol, 2-pentylfuran, 5-hydroxymethylfurfural) in breaded fish products. Oven-baking and reheating in the microwave lead to low furanic compounds formation in comparison with deep-frying. The use of olive oil for deep-frying promoted higher levels of furanic compounds than sunflower oil. The amounts of these compounds diminished as the temperature and time of deep-frying decreased as well as after a delay after deep-frying. Thus, the generation of furanic compounds can be minimized by adjusting the cooking method and conditions, such as using an electric oven, deep-frying in sunflower oil at 160°C during 4min, or waiting 10min after cooking. However, these conditions that reduce furanic compounds levels also reduce the content of volatile compounds related to the aroma and flavour of fried foods. In this sense, new efforts should be done to reduce the formation of furanic compounds without being detrimental to the volatile profile. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Application of Box–Behnken design in the optimization of new peroxyoxalate–H2O2 chemiluminescence system using furan derivatives as blue activators

    International Nuclear Information System (INIS)

    Chaichi, M.J.; Azizi, S.N.; Alijanpour, O.; Heidarpour, M.; Qandalee, M.

    2013-01-01

    The non-commercially synthesized and purified furan derivatives are of great interest as fluorescent emitters for peroxyoxalate chemiluminescence (PO-CL). The reaction of oxalic ester such as bis-(2,4,6-trichloro-phenyl) oxalate (TCPO) with H 2 O 2 can lead to the excitation of an appropriate activator via the formation of a 1,2-dioxetanedione intermediate. In this study, two furan derivatives were used as activators which produce a blue light in the chemiluminescence systems. In the following, the Box–Behnken design matrix and response surface methodology (RSM) have been applied to design the experiments to study the relationship between the chemiluminescence intensities and the three most important operating variables such as sodium salicylate (5×10 −4 –5×10 −3 M), furan (10 −5 –10 −3 M) and hydrogen peroxide (10 −3 –10 −1 M) concentrations, and also to evaluate the interactive effects of these variables on the CL emission of TCPO system. Totally 15 experiments were conducted in the present study towards the construction of a quadratic model. Independent variables of sodium salicylate, hydrogen peroxide and furan concentration have the significance value of p=0.05, in both the systems, which explicitly shows the importance of these variables in the CL emission of TCPO. Values of Prob>F less than 0.0001 indicated that the model terms are significant for the CL emission of TCPO. Moreover, the regression equation coefficients were calculated and the data fitted to a second-order polynomial equation for CL emission of TCPO. -- Highlights: ► Furan derivatives are used as activators for peroxyoxalate chemiluminescence. ► The activators produce a blue light in the chemiluminescence system. ► The Box–Behnken design matrix and response surface methodology (RSM) is used. ► The most important variables are sodium salicylate, furan and hydrogen peroxide. ► The data are fitted to a second-order polynomial equation for CL emission of TCPO

  13. Furan formation during storage and reheating of sterilised vegetable purées.

    Science.gov (United States)

    Palmers, Stijn; Grauwet, Tara; Buvé, Carolien; Van de Vondel, Lore; Kebede, Biniam T; Hendrickx, Marc E; Van Loey, Ann

    2015-01-01

    To this day, research for furan mitigation has mostly targeted the levels of food production and handling of prepared foods by the consumer. However, part of the furan concentrations found in commercially available food products might originate from chemical deterioration reactions during storage. A range of individual vegetable purées was stored at two different temperatures to investigate the effects of storage on the furan concentrations of shelf-stable, vegetable-based foods. After 5 months of storage at 35°C (temperature-abuse conditions), a general increase in furan concentrations was observed. The furan formation during storage could be reduced by storing the vegetable purées at a refrigerated temperature of 4°C, at which the furan concentrations remained approximately constant for at least 5 months. Following storage, the vegetable purées were briefly reheated to 90°C to simulate the effect of the final preparation step before consumption. Contrary to storage, furan concentrations decreased as a result of evaporative losses. Both refrigerated storage and the reheating step prior to consumption showed the potential of mitigation measures for furan formation in vegetable-based foods (e.g. canned vegetables, ready-to-eat soups, sauces or baby foods). Next to furan, the vegetable purées were analysed for 2- and 3-methylfuran. Tomato was very susceptible to the formation of both alkylated derivatives of furan, as opposed to the other vegetables in this study. Methylfuran concentrations rapidly decreased during storage, which was contrary to the results observed for furan.

  14. Facile electrochemical polymerization of 2-(thiophen-2-yl)furan and the enhanced capacitance properties of its polymer in acetonitrile electrolyte containing boron trifluoride diethyl etherate

    International Nuclear Information System (INIS)

    Mo, Daize; Zhou, Weiqiang; Ma, Xiumei; Xu, Jingkun

    2015-01-01

    Highlights: • The low-potential polymerization of 2-(thiophen-2-yl)furan into polymer (PTFu) was reported. • The electrochemical performance of PTFu was studied in three different electrolytes. • The specific capacitance of PTFu electrode reached 392.0 F g −1 at 5 A g −1 and had 67.0% retention after 500 cycles. • The addition of boron trifluoride diethyl etherate into acetonitrile electrolyte benefited to enhance the specific capacitance and stability of PTFu electrode. - ABSTRACT: In this study, a new simple hybrid poly(2-(thiophen-2-yl)furan) (PTFu) was easily electrodeposited by direct anodic oxidation of 2-(thiophen-2-yl)furan in acetonitrile solution containing 0.1 M lithium perchlorate (LiClO 4 ). The oxidation onset potential of 2-(thiophen-2-yl)furan monomer in this medium was measured to be 0.90 V, which was lower than those of thiophene (1.47 V) and furan (1.28 V). The structure and morphology of PTFu were characterized by Ultraviolet–visible spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy, and thermal analysis. The electrochemical capacitance properties of PTFu electrode in three electrolytes were also investigated by cyclic voltammetry, galvanostatic charge/discharge and electrochemical impedance spectroscope techniques. The electrochemical results showed that the specific capacitance of PTFu electrode was enhanced to 392.0 F g −1 from 249.4 F g −1 at 5 A g −1 and the cycling stability was also enhanced to 67.0% retention from 25.5% retention after 500 cycles when the equivalent boron trifluoride diethyl etherate (BFEE) was added into the acetonitrile electrolyte. Furthermore, the PTFu electrode in ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate (BmimPF 6 ) showed a lower specific capacitance value (209.4 F g −1 at 5 A g −1 ) and an improved stability (67.6% retention after 600 cycles). These results indicated that the conducting polymers based on furan should be a promising

  15. Effect of high hydrostatic pressure on background microflora and furan formation in fruit purée based baby foods.

    Science.gov (United States)

    Kultur, Gulcin; Misra, N N; Barba, Francisco J; Koubaa, Mohamed; Gökmen, Vural; Alpas, Hami

    2018-03-01

    The baby foods industry is currently seeking technologies to pasteurize products without formation of processing contaminants such as furan. This work demonstrates the applicability of high hydrostatic pressure (HHP) as a non-thermal decontamination intervention for fruit purée based baby foods. HHP processing was evaluated at 200, 300, and 400 MPa pressures, for 5, 10 and 15 min of treatment times at 25, 35 and 45 °C. HHP application at 400 MPa, 45 °C for 15 min ensured complete inactivation (about 6 log 10 ) of total mesophilic aerophiles, as well as yeasts and molds. No furan was detected in HHP processed products. Thus, the key advantage of HHP over thermal processing is the ability to achieve commercially acceptable microbiological inactivation while avoiding the formation of processing contaminants such as furan.

  16. Interaction of cesium ions with calix[2]furan[4]pyrrole and its fluoride complex

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Dybal, Jiří; Makrlík, E.; Kohnke, F. H.

    2012-01-01

    Roč. 541, 10 July (2012), s. 27-31 ISSN 0009-2614 Institutional research plan: CEZ:AV0Z40500505 Institutional support: RVO:61389013 Keywords : calix[2]furan[4]pyrrole * Cs complex * NMR Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.145, year: 2012

  17. Influence of heating conditions and ascorbic acid concentration over furan formation in starchy model systems

    DEFF Research Database (Denmark)

    Mariotti, Salomé; Granby, Kit; Fromberg, Arvid

    Furan, a potential carcinogen, can be formed in foods processed at high temperatures such as coffee, baby foods, bread and snacks. Although there is still no clarity about the risks associated with the current intake levels of dietary furan, to limit the furan occurrence in foods may be considered...

  18. Effect of consumer cooking on furan in convenience foods.

    Science.gov (United States)

    Roberts, D; Crews, C; Grundy, H; Mills, C; Matthews, W

    2008-01-01

    The effect of domestic preparation regimes on the level of the heat-formed toxicant furan was studied to provide useful information for exposure assessment and advice for manufacturers and consumers. Foods were cooked in a saucepan on a gas hob or microwaved and furan was determined by headspace sampling with gas chromatography-mass spectrometry. In general, furan levels did not decrease as much when foods were cooked in a microwave oven when compared with the same foods cooked in a saucepan. Furan levels decreased in most canned and jarred foods after heating in a saucepan. Low levels of furan in soups in cartons were not changed by any procedure. Furan decreased slightly in foods on standing before consumption, but did so more rapidly on stirring. The levels also decreased slightly when foods were left to stand on plates; this observation is attributed to the volatility of furan.

  19. In vivo genotoxicity of furan in F344 rats at cancer bioassay doses

    International Nuclear Information System (INIS)

    Ding, Wei; Petibone, Dayton M.; Latendresse, John R.; Pearce, Mason G.; Muskhelishvili, Levan; White, Gene A.; Chang, Ching-Wei; Mittelstaedt, Roberta A.; Shaddock, Joseph G.; McDaniel, Lea P.; Doerge, Daniel R.; Morris, Suzanne M.; Bishop, Michelle E.; Manjanatha, Mugimane G.; Aidoo, Anane; Heflich, Robert H.

    2012-01-01

    Furan, a potent rodent liver carcinogen, is found in many cooked food items and thus represents a human cancer risk. Mechanisms for furan carcinogenicity were investigated in male F344 rats using the in vivo Comet and micronucleus assays, combined with analysis of histopathological and gene expression changes. In addition, formamidopyrimidine DNA glycosylase (Fpg) and endonuclease III (EndoIII)-sensitive DNA damage was monitored as a measure of oxidative DNA damage. Rats were treated by gavage on four consecutive days with 2, 4, and 8 mg/kg bw furan, doses that were tumorigenic in 2-year cancer bioassays, and with two higher doses, 12 and 16 mg/kg. Rats were killed 3 h after the last dose, a time established as producing maximum levels of DNA damage in livers of furan-treated rats. Liver Comet assays indicated that both DNA strand breaks and oxidized purines and pyrimidines increased in a near-linear dose-responsive fashion, with statistically significant increases detected at cancer bioassay doses. No DNA damage was detected in bone marrow, a non-target tissue for cancer, and peripheral blood micronucleus assays were negative. Histopathological evaluation of liver from furan-exposed animals produced evidence of inflammation, single-cell necrosis, apoptosis, and cell proliferation. In addition, genes related to apoptosis, cell-cycle checkpoints, and DNA-repair were expressed at a slightly lower level in the furan-treated livers. Although a mixed mode of action involving direct DNA binding cannot be ruled out, the data suggest that furan induces cancer in rat livers mainly through a secondary genotoxic mechanism involving oxidative stress, accompanied by inflammation, cell proliferation, and toxicity. -- Highlights: ► Furan is a potent rodent liver carcinogen and represents a human cancer risk. ► Furan induces DNA damage in rat liver at cancer bioassay doses. ► Furan induces oxidative stress, inflammation and cell proliferation in rat liver. ► Expression of

  20. Investigation on Furan Levels in Pressure-Cooked Foods

    Directory of Open Access Journals (Sweden)

    Adriana P. Arisseto

    2013-01-01

    Full Text Available Furan is a food processing contaminant classified as possibly carcinogenic to humans. As the occurrence of furan has been reported in a variety of foods processed in sealed containers, the objective of this work was to investigate if the contaminant can be found in home-cooked foods prepared in a pressure cooker. For that, several foods including beans, soy beans, whole rice, beef, pork, potato, and cassava were pressure-cooked and analyzed for the furan content by gas chromatography coupled to mass spectrometry preceded by a headspace solid phase microextraction (HS-SPME-GC/MS. Furan was not found above the limit of quantification in the pressure-cooked samples. No furan has either been found in reheated samples after 24 hours under cold storage. Although levels up to 173 μg/kg were already reported for commercial canned/jarred foods, it seems that the cooking in a pressure cooker may not represent a concern in relation to the occurrence of furan in foods.

  1. Estimation of furan contamination across the Belgian food chain.

    Science.gov (United States)

    Scholl, G; Scippo, M-L; De Pauw, E; Eppe, G; Saegerman, C

    2012-01-01

    This paper provides an estimate of the furan content of Belgian foods. The objective of the study was to achieve the best food chain coverage with a restricted number of samples (n = 496). The geographic distribution, different market chains and labels, and consumption frequencies were taken into account in the construction of the sampling plan. Weighting factors such as contamination levels, consumption frequency and the diversity of food items were applied to set up the model. The very low detection capabilities (CC(β)) of the analytical methods used (sub-ppb) allowed reporting of 78.2% of the overall dataset above CC(β) and, in particular, 96.7% for the baby food category. The highest furan levels were found in powdered roasted bean coffee (1912 µg kg(-1)) with a mean of 756 µg kg(-1) for this category. Prepared meat, pasta and rice, breakfast cereals, soups, and baby food also showed high mean furan contents ranging from 16 to 43 µg kg(-1). Comparisons with contamination surveys carried out in other countries pointed out differences for the same food group and therefore contamination levels are related to the geographical origin of food items.

  2. Incorporation of Furan into Low Band-Gap Polymers for Efficient Solar Cells

    KAUST Repository

    Woo, Claire H.

    2010-11-10

    The design, synthesis, and characterization of the first examples of furan-containing low band-gap polymers, PDPP2FT and PDPP3F, with substantial power conversion efficiencies in organic solar cells are reported. Inserting furan moieties in the backbone of the conjugated polymers enables the use of relatively small solubilizing side chains because of the significant contribution of the furan rings to overall polymer solubility in common organic solvents. Bulk heterojunction solar cells fabricated from furan-containing polymers and PC71BM as the acceptor showed power conversion efficiencies reaching 5.0%. © 2010 American Chemical Society.

  3. Incorporation of Furan into Low Band-Gap Polymers for Efficient Solar Cells

    KAUST Repository

    Woo, Claire H.; Beaujuge, Pierre M.; Holcombe, Thomas W.; Lee, Olivia P.; Fréchet, Jean M. J.

    2010-01-01

    The design, synthesis, and characterization of the first examples of furan-containing low band-gap polymers, PDPP2FT and PDPP3F, with substantial power conversion efficiencies in organic solar cells are reported. Inserting furan moieties in the backbone of the conjugated polymers enables the use of relatively small solubilizing side chains because of the significant contribution of the furan rings to overall polymer solubility in common organic solvents. Bulk heterojunction solar cells fabricated from furan-containing polymers and PC71BM as the acceptor showed power conversion efficiencies reaching 5.0%. © 2010 American Chemical Society.

  4. Furan interaction with the Si(001)-(2 x 2) surface: structural, energetics, and vibrational spectra from first-principles

    International Nuclear Information System (INIS)

    Miotto, R; Ferraz, A C

    2009-01-01

    In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of furan on the silicon (001) surface. A direct comparison of different adsorption structures with x-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS), high resolution electron energy loss spectroscopy (HREELS), near edge x-ray absorption fine structure (NEXAFS), and high resolution spectroscopy experimental data allows us to identify the [4+2 ] cycloaddition reaction as the most probable adsorbate. In addition, theoretical scanning tunnelling microscopy (STM) images are presented, with a view to contributing to further experimental investigations.

  5. Furan in food including homemade and ready-to-eat food products

    DEFF Research Database (Denmark)

    Fromberg, Arvid; Granby, Kit; Mariotti Celis, M.

    Furan is formed in canned, jarred or browned food items. As furan is carcinogenic in animal experiments, attention has been drawn to the presence in commercial and home-cooked foods. The formation of furan in home cooked foods were studied as well as the stability of furan during cooking, saving...... and reheating of meals. In addition the occurrence of furan in some commercially dried and browned food products were determined. Several recipes of European homemade food were prepared but in most cases fortunately furan was not found. I few exceptions were e.g. apple pie (133 ng/g furan in the rasp) and tea...... buns with raisins (83 ng/g furan in the raisins). The influence on heating and reheating of ready to eat foods like different soups, baked beans and vegetable meals known to contain furan, showed that heating roughly reduced the furan level to half the initial level and reheating reduced the level...

  6. Furfural and other furane-derivates as diesel fuel additives. Furfural und andere Furanderivate als Zusatz zum Dieselkraftstoff

    Energy Technology Data Exchange (ETDEWEB)

    Nemling, O.

    1982-01-01

    Alternative energies such as fuel additives or fuel-substitutes are on their way upwards as they may help to reduce the dependency on crude and crude-based fuels. A number of solutions has already been indicated for carburettor engines whereas a lot more of research and development is needed to find a safe alternative to diesel fuels. Possibilities of using furfural, furfuralcohol and furan-2-carbonic acid-methylester as additives to diesel or as a substitute were investigated. A survey on the characteristic properties of these substances is given, then several tests are set up in order to describe the properties of diesel additive mixtures at low temperatures. Based on these tests two mixtures are proposed both with a furfural/butanole mixture. Furfural is suitable as diesel additive, a solubilizer is needed though.

  7. Process for producing furan from furfural aldehyde

    Science.gov (United States)

    Diebold, J.P.; Evans, R.J.

    1987-04-06

    A process of producing furan and derivatives thereof as disclosed. The process includes generating furfural aldehyde vapors and then passing those vapors over a zeolite catalyst at a temperature and for a residence time effective to decarbonylate the furfural aldehydes to form furans and derivatives thereof. The resultant furan vapors and derivatives are then separated. In a preferred form, the furfural aldehyde vapors are generated during the process of converting biomass materials to liquid and gaseous fuels.

  8. Process for producing furan from furfural aldehyde

    Science.gov (United States)

    Diebold, James P.; Evans, Robert J.

    1988-01-01

    A process of producing furan and derivatives thereof is disclosed. The process includes generating furfural aldehyde vapors and then passing those vapors over a zeolite catalyst at a temperature and for a residence time effective to decarbonylate the furfural aldehydes to form furans and derivatives thereof. The resultant furan vapors and derivatives are then separated. In a preferred form, the furfural aldehyde vapors are generated during the process of converting biomass materials to liquid and gaseous fuels.

  9. Caracterização do grânulo de amido de bananas (Musa AAA-Nanicão e Musa AAB-Terra)

    OpenAIRE

    Freitas,M.C.J.; Tavares,D.de Q.

    2005-01-01

    O amido de bananas tem sido pesquisado na área de nutrição a partir da introdução do conceito de Amido Resistente. O amido de Musa AAA-Nanicão e Musa AAB-Terra foram caracterizados quanto as suas respostas fisiológicas [12]. Em continuidade, o presente trabalho estudou características físicas e morfológicas dos grânulos de amido de ambas as espécies de banana comparando-as com amido nativo de milho comercial. O amido de bananas foi extraído segundo CHIANG, CHU & CHU [3]. A morfologia dos ...

  10. Application of Box–Behnken design in the optimization of new peroxyoxalate–H{sub 2}O{sub 2} chemiluminescence system using furan derivatives as blue activators

    Energy Technology Data Exchange (ETDEWEB)

    Chaichi, M.J., E-mail: jchaichi@yahoo.com [Faculty of Chemistry, Mazandaran University, Babolsar (Iran, Islamic Republic of); Azizi, S.N.; Alijanpour, O.; Heidarpour, M. [Faculty of Chemistry, Mazandaran University, Babolsar (Iran, Islamic Republic of); Qandalee, M. [Department of Biology, Garmsar Branch, Islamic Azad University, Garmsar (Iran, Islamic Republic of)

    2013-06-15

    The non-commercially synthesized and purified furan derivatives are of great interest as fluorescent emitters for peroxyoxalate chemiluminescence (PO-CL). The reaction of oxalic ester such as bis-(2,4,6-trichloro-phenyl) oxalate (TCPO) with H{sub 2}O{sub 2} can lead to the excitation of an appropriate activator via the formation of a 1,2-dioxetanedione intermediate. In this study, two furan derivatives were used as activators which produce a blue light in the chemiluminescence systems. In the following, the Box–Behnken design matrix and response surface methodology (RSM) have been applied to design the experiments to study the relationship between the chemiluminescence intensities and the three most important operating variables such as sodium salicylate (5×10{sup −4}–5×10{sup −3} M), furan (10{sup −5}–10{sup −3} M) and hydrogen peroxide (10{sup −3}–10{sup −1} M) concentrations, and also to evaluate the interactive effects of these variables on the CL emission of TCPO system. Totally 15 experiments were conducted in the present study towards the construction of a quadratic model. Independent variables of sodium salicylate, hydrogen peroxide and furan concentration have the significance value of p=0.05, in both the systems, which explicitly shows the importance of these variables in the CL emission of TCPO. Values of Prob>F less than 0.0001 indicated that the model terms are significant for the CL emission of TCPO. Moreover, the regression equation coefficients were calculated and the data fitted to a second-order polynomial equation for CL emission of TCPO. -- Highlights: ► Furan derivatives are used as activators for peroxyoxalate chemiluminescence. ► The activators produce a blue light in the chemiluminescence system. ► The Box–Behnken design matrix and response surface methodology (RSM) is used. ► The most important variables are sodium salicylate, furan and hydrogen peroxide. ► The data are fitted to a second-order polynomial

  11. Covalent Modification of Cytochrome C by Reactive Metabolites of Furan

    OpenAIRE

    Phillips, Martin B.; Sullivan, Mathilde M.; Villalta, Peter W.; Peterson, Lisa A.

    2013-01-01

    Metabolism of the hepatotoxicant furan leads to protein adduct formation in the target organ. The initial bioactivation step involves cytochrome P450-catalyzed oxidation of furan, generating cis-2-butene-1,4-dial (BDA). BDA reacts with lysine to form pyrrolin-2-one adducts. Metabolic studies indicate that BDA also reacts with glutathione (GSH) to generate 2-(S-glutathionyl)butanedial (GSH-BDA), which then reacts with lysine to form GSH-BDA-lysine cross-links. To explore the relative reactivit...

  12. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part II: 2-Methylfuran.

    Science.gov (United States)

    Tran, Luc-Sy; Togbé, Casimir; Liu, Dong; Felsmann, Daniel; Oßwald, Patrick; Glaude, Pierre-Alexandre; Fournet, René; Sirjean, Baptiste; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2014-03-01

    This is Part II of a series of three papers which jointly address the combustion chemistry of furan and its alkylated derivatives 2-methylfuran (MF) and 2,5-dimethylfuran (DMF) under premixed low-pressure flame conditions. Some of them are considered to be promising biofuels. With furan as a common basis studied in Part I of this series, the present paper addresses two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of MF which were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) for equivalence ratios φ=1.0 and 1.7, identical conditions to those for the previously reported furan flames. Mole fractions of reactants, products as well as stable and reactive intermediates were measured as a function of the distance above the burner. Kinetic modeling was performed using a comprehensive reaction mechanism for all three fuels given in Part I and described in the three parts of this series. A comparison of the experimental results and the simulation shows reasonable agreement, as also seen for the furan flames in Part I before. This set of experiments is thus considered to be a valuable additional basis for the validation of the model. The main reaction pathways of MF consumption have been derived from reaction flow analyses, and differences to furan combustion chemistry under the same conditions are discussed.

  13. Furan: A critical heat induced dietary contaminant

    DEFF Research Database (Denmark)

    Mariotti, María S.; Granby, Kit; Rozowski, Jaime

    2013-01-01

    The presence of furan in a broad range of heat processed foods (0-6000 μg kg-1) has received considerable attention due to the fact that this heat induced contaminant is considered as a "possible carcinogenic compound to humans". Since a genotoxic mode of action could be associated with furan...... of some critical factors such as heating conditions, pH and matrix microstructure are discussed in order to propose some potential methodologies for furan mitigation in a wide range of heated foods. © 2013 The Royal Society of Chemistry....

  14. 8-Methoxypsoralen-nucleic acid photoreaction. Effect of methyl substitution on pyrone vs. furan photoaddition

    International Nuclear Information System (INIS)

    Kanne, D.; Rapoport, H.; Hearst, J.E.

    1984-01-01

    We have synthesized a series of 8-[3H]methoxypsoralens in which methyl and hydrogen are systematically varied at the 4- and 5'-positions. Analysis of the products resulting from the photoaddition of these four psoralens with the nucleic acid poly(dA-dT) reveals that the product distribution depends on the presence or absence of a 4-methyl substituent. Compounds with the 4-methyl group show an overwhelming preference (approximately 98%) for addition to the furan double bond, while compounds without the 4-methyl show a substantial amount (approximately 18%) of addition to the pyrone double bond

  15. Are Chileans exposed to dietary furan?

    DEFF Research Database (Denmark)

    Mariotti, Maria; Toledo, Carla; Hevia, Karen

    2013-01-01

    ) and low moisture starchy products like crisps and “soda”-type crackers showed the highest furan concentrations (259 and 91 ng g−1, respectively). Furthermore, furan was also found in samples of breakfast cereals (approximately 20 ng g−1), jarred fruit baby foods (8.5 ng g−1) and orange juice (7.0 ng g−1...

  16. Elaboração e caracterização de filmes finos de amido de milho e parafina

    OpenAIRE

    Alves, Janyelle Severino

    2014-01-01

    As questões ambientais têm influenciado a busca de materiais que causem menor impacto ambiental e que sejam de fácil degradação, como os materiais biodegradáveis. Os filmes à base de amido, por serem biodegradáveis, estariam colaborando e muito para a preservação do ambiente. Sendo assim, este trabalho teve como objetivos: a caracterização do amido de milho nativo e do amido de milho modificado; a elaboração e caracterização dos filmes finos produzidos a partir da mistura de amido de milho na...

  17. Synthesis of quinoline attached-furan-2(3H-ones having anti-inflammatory and antibacterial properties with reduced gastro-intestinal toxicity and lipid peroxidation

    Directory of Open Access Journals (Sweden)

    Akhter Mymoona

    2011-01-01

    Full Text Available A series of 3-[2-chloroquinolin-3-ylmethylene]-5-aryl-furan-2(3H-ones {3(a-p} were synthesized. The required 3-(substitutedbenzoyl propionic acids {2(a-d} were prepared under Friedal Craft acylation reaction conditions. The substituted 2-chloroquinoline-3-carbaldehydes {1(a-d} were synthesized by reaction of substitutedphenylethanone-oxime with phosphorus oxychloride in presence of dimethyl formamide using the Vilsmeir Haack reaction method. These compounds were screened for their anti-inflammatory and antibacterial activities along with their ulcerogenic and lipid peroxidation potentials. The compounds that showed significant anti-inflammatory activity were further screened for their analgesic activity. The compounds were less toxic in terms of ulcerogenicity as compared to a standard, which was also supported by lipid peroxidation studies. The antibacterial activities were performed against Staphylococcus aureus and Escherichia coli. Compounds 3f, 3n and 3o showed significant activity against both S. aureus and E. coli having an MIC value of 6.25μg mL-1.

  18. Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.

    Science.gov (United States)

    Mandapati, Pavan; Giesbrecht, Patrick K; Davis, Rebecca L; Herbert, David E

    2017-03-20

    Proligands based on bis(8-quinolinyl)amine (L1) were prepared containing one (L2) and two (L3) benzo-fused N-heterocyclic phenanthridinyl (3,4-benzoquinolinyl) units. Taken as a series, L1-L3 provides a ligand template for exploring systematic π-extension in the context of tridentate pincer-like amido complexes of group 10 metals (1-M, 2-M, and 3-M; M = Ni, Pd, Pt). Inclusion of phenanthridinyl units was enabled by development of a cross-coupling/condensation route to 6-unsubstituted, 4-substituted phenanthridines (4-Br, 4-NO 2 , 4-NH 2 ) suitable for elaboration into the target ligand frameworks. Complexes 1-M, 2-M, and 3-M are redox-active; electrochemistry and UV-vis absorption spectroscopy were used to investigate the impact of π-extension on the electronic properties of the metal complexes. Unlike what is typically observed for benzannulated ligand-metal complexes, extending the π-system in metal complexes 1-M to 2-M to 3-M led to only a moderate red shift in the relative highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap as estimated by electrochemistry and similarly subtle changes to the onset of the lowest-energy absorption observed by UV-vis spectroscopy. Time-dependent density functional theory calculations revealed that benzannulation significantly impacts the atomic contributions to the LUMO and LUMO+1 orbitals, altering the orbital contributions to the lowest-energy transition but leaving the energy of this transition essentially unchanged.

  19. Peniciadametizine A, a Dithiodiketopiperazine with a Unique Spiro[furan-2,7'-pyrazino[1,2-b][1,2]oxazine] Skeleton, and a Related Analogue, Peniciadametizine B, from the Marine Sponge-Derived Fungus Penicillium adametzioides

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2015-06-01

    Full Text Available Peniciadametizine A (1; a new dithiodiketopiperazine derivative possessing a unique spiro[furan-2,7'-pyrazino[1,2-b][1,2]oxazine] skeleton, together with a highly oxygenated new analogue, peniciadametizine B (2; as well as two known compounds, brasiliamide A (3; and viridicatumtoxin (4, were isolated and identified from Penicillium adametzioides AS-53, a fungus obtained from an unidentified marine sponge. The unambiguous assignment of the relative and absolute configuration for the spiro center C-2 of compound 1 was solved by the combination of NMR and ECD measurements with Density-Functional Theory (DFT conformational analysis and Time-Dependent Density-Functional Theory-Electronic Circular Dichroism (TDDFT-ECD calculations. The spiro[furan-2,7'-pyrazino[1,2-b][1,2]oxazine] skeleton of 1 has not been reported yet among natural products and the biosynthetic pathway for 1 and 2 was discussed. Compounds 1 and 2 showed inhibitory activity against the pathogenic fungus Alternaria brassicae.

  20. Synthesis and Characterization of Furanic Compounds

    Science.gov (United States)

    2013-09-01

    Furanamine. Solvent 2-Furanamine Acetone — Chloroform — Dimethylacetamide (DMAc) — Dimethylsulfoxide ( DMSO ) + Methanol ± Tetrahydrofuran (THF...4 Figure 4. 1 H NMR of 2-Furanamine in D2O solvent ...Spectra for the furanic compounds were obtained in a 0.1%–0.5% deuterated solvent solutions. 3. Synthesis 3.1 General The following monomers and

  1. Extração de β-glucanas de cevada e caracterização parcial do amido residual

    OpenAIRE

    Limberger,Valéria Maria; Francisco,Alícia de; Borges,Marivone Rosa; Oro,Tatiana; Ogliari,Paulo Jose; Scheuer,Patrícia Matos; Noronha,Carolina Montanheiro

    2011-01-01

    O objetivo do trabalho foi avaliar os parâmetros da extração de β-glucanas de cevada e caracterizar parcialmente o amido residual da extração. Foi desenvolvida metodologia para extração de β-glucanas de cevada sem degradação do amido, avaliando as variáveis pH e temperatura de extração. O percentual de β-glucanas extraída variou de 44,21 a 53,38%, sendo influenciado pela temperatura, e o de amido extraído variou de 65,98% a 77,54%, sendo influenciado pelo pH. O amido residual d...

  2. Formation of quinones, indanones and furans by the reaction of molybdenum carbene complexes with alkynes

    International Nuclear Information System (INIS)

    Doetz, K.H.; Larbig, H.

    1992-01-01

    (Alkoxy)carbene complexes of molybdenum react with terminal alkynes to give carbene annulation of cycloaddition products, the skeleton of which depends on the carbene substitution pattern and the alkyne used. (CO) 5 Mo=C(OMe)-p-tol undergoes carbene annulation upon reaction with trimethylsilylacetylene leading to naphthoquinone after oxidative work-up. Similar products are obtained from (CO) 5 Mo=C(OMe)2-furyl and hex-1-yne or oct-1-yne. The reaction of these alkynes results in the formation of indanones as five-membered annulation products. In the presence of 3.3-dimethylbut-1-yne the (phenyl) carbene ligands act as a C 1 -synthon, which is incorporated into the furan cycloaddition products

  3. Morita-Baylis-Hillman Route to Dimethyl 2,3-Dihydrobenzo[b]oxepine-2,4- dicarboxylates and Methyl 2-(2-Carbomethoxybenzo[b]furan-3-yl)propanoates from Salicylaldehydes

    International Nuclear Information System (INIS)

    Ahn, Sang Hyun; Jang, Seung Soon; Kim, Young Keun; Lee, Kee Jung

    2012-01-01

    A new synthetic method for dimethyl 2,3-dihydrobenzo[b]oxepine-2,4-dicarboxylates and methyl 2-(2- carbomethoxybenzo[b]furan-3-yl)propanoates by an intramolecular conjugate displacement reaction or an S N 2 reaction of acetates of Morita-Baylis-Hillman adducts of methyl (2-formylphenoxy)acetates has been described

  4. Synthesis of heterocyclic chalcone derivatives and their radical scavenging ability toward 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radicals

    International Nuclear Information System (INIS)

    Hwang, Kijun; Kim, Hoseok; Kim, Beomtae; Han, Incheol

    2012-01-01

    A series of heterocyclic chalcone derivatives bearing heterocycles such as thiophene or furan ring as an isostere of benzene ring were carefully prepared, and the influence of heterocycles on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activities was systematically investigated. Structure-activity relationships (SAR) analysis showed that the activities of thiophene ring-containing chalcones were higher than those of furan ring containing chalcones, and the presence of methyl substituent of heterocyclic ring distinctly affected the activities compared with non-substituted heterocycles in an opposite manner, with the 4'-methyl group of thiophene ring increasing activity and the 3'-methyl group of the furan ring decreasing activity. The distinct isosteric effect of heterocycles (i.e., thiophene or furan ring) on radical scavenging activities of heterocyclic chalcones was distinctly demonstrated in our work

  5. Morita-Baylis-Hillman Route to Dimethyl 2,3-Dihydrobenzo[b]oxepine-2,4- dicarboxylates and Methyl 2-(2-Carbomethoxybenzo[b]furan-3-yl)propanoates from Salicylaldehydes

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Sang Hyun; Jang, Seung Soon; Kim, Young Keun; Lee, Kee Jung [Hanyang University, Seoul (Korea, Republic of)

    2012-01-15

    A new synthetic method for dimethyl 2,3-dihydrobenzo[b]oxepine-2,4-dicarboxylates and methyl 2-(2- carbomethoxybenzo[b]furan-3-yl)propanoates by an intramolecular conjugate displacement reaction or an S{sub N}2 reaction of acetates of Morita-Baylis-Hillman adducts of methyl (2-formylphenoxy)acetates has been described.

  6. Extração e caracterização de amido de jacatupé (Pachyrhizus ahipa Extraction and characterization of Pachyrhyzus ahipa starch

    Directory of Open Access Journals (Sweden)

    Magali Leonel

    2003-12-01

    Full Text Available O gênero Pachyrhizus tem sido estudado como fonte de matéria-prima amilácea devido ao considerável teor de amido nas raízes de suas espécies. Neste trabalho objetivou-se caracterizar raízes de P. ahipa, processar em laboratório para a extração do amido e analisá-lo quanto à composição centesimal, teor de amilose, formato e tamanho de grânulos em microscópio eletrônico de varredura e viscosidade das pastas (RVA. As raízes de P. ahipa apresentaram 18% de massa seca sendo 7,68% amido. O rendimento obtido de amido foi baixo (4,28%, apontando para a necessidade de estudos que melhorem o processo de extração. O produto obtido apresentou 12,3% de umidade, 84% de amido com 13% de amilose e baixos teores de outros componentes (base úmida. A análise em microscópio eletrônico de varredura mostrou grânulos de amido de formas circular e poligonal, com tamanho variando entre 10 e 25mm. O perfil de viscosidade apresentado por este amido mostrou baixa temperatura de pasta (56ºC e pico de viscosidade a 272 RVU, estando este último valor próximo ao observado para amido de mandioca, sob as mesmas condições. O amido de P. ahipa apresentou ainda, baixa estabilidade da pasta a quente e tendência à retrogradação com o resfriamento.The species of the genus Pachyrhizus have been studied as a potential starchy raw material source. This work had as purpose the characterization of P. ahipa roots and process the roots in laboratory for starch extraction. The centesimal composition and amylose content of starch were analyzed. The starch granule size and shape were observed in scanning electronic microscopy. The Rapid Visco Analyzer was used for viscosity analysis. The P. ahipa roots showed high humidity (82% and 7,68% of starch. The process yield was low (4.28%, which reveal the necessity of searches for improving starch extraction. The product showed 12.3% of humidity, 84% of starch (13% amylose and low content of other components. The

  7. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part II: 2-Methylfuran

    Science.gov (United States)

    Tran, Luc-Sy; Togbé, Casimir; Liu, Dong; Felsmann, Daniel; Oßwald, Patrick; Glaude, Pierre-Alexandre; Fournet, René; Sirjean, Baptiste; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2013-01-01

    This is Part II of a series of three papers which jointly address the combustion chemistry of furan and its alkylated derivatives 2-methylfuran (MF) and 2,5-dimethylfuran (DMF) under premixed low-pressure flame conditions. Some of them are considered to be promising biofuels. With furan as a common basis studied in Part I of this series, the present paper addresses two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of MF which were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) for equivalence ratios φ=1.0 and 1.7, identical conditions to those for the previously reported furan flames. Mole fractions of reactants, products as well as stable and reactive intermediates were measured as a function of the distance above the burner. Kinetic modeling was performed using a comprehensive reaction mechanism for all three fuels given in Part I and described in the three parts of this series. A comparison of the experimental results and the simulation shows reasonable agreement, as also seen for the furan flames in Part I before. This set of experiments is thus considered to be a valuable additional basis for the validation of the model. The main reaction pathways of MF consumption have been derived from reaction flow analyses, and differences to furan combustion chemistry under the same conditions are discussed. PMID:24518895

  8. Tea Polyphenols as Inhibitors of Furan Formed in the Maillard Model System and Canned Coffee Model.

    Science.gov (United States)

    Bi, K H; Zhang, L; Qiao, X G; Xu, Z X

    2017-05-01

    In this article, the effects of sugars and amino acids on furan formation via the Maillard reaction in low-moisture model systems were investigated. Glucose and alanine are important furan precursors, and the effects of the heating temperature, heating time, and molar ratio of glucose to alanine on furan formation were studied in glucose/alanine model system by response surface methodology. The heating temperature greatly affected furan formation. The maximum furan concentration was obtained with a glucose-to-alanine molar ratio of 0.83:1.00, by heating at 151 °C for 41 min. Tea polyphenols effectively inhibited furan formation in the glucose/alanine model and a canned coffee model. A high inhibition rate of 42.4% ± 1.5% was obtained in the canned coffee model during sterilization procedure with addition of 84 mg (the mass fraction is 12.1%) of tea polyphenols (99%). However, the content of aromatic components in the canned coffee model was significantly reduced at the same time. This study provides evidence for a good furan inhibitor that can be used in food processing. © 2017 Institute of Food Technologists®.

  9. Concentrations, Stability, and Isolation of the Furan Fatty Acid 9-(3-Methyl-5-pentylfuran-2-yl)-nonanoic Acid from Disposable Latex Gloves.

    Science.gov (United States)

    Müller, Marco; Hogg, Melanie; Ulms, Kerstin; Vetter, Walter

    2017-09-13

    Because of their antioxidant properties, furan fatty acids (furan-FAs) are valuable minor compounds with a widespread occurrence in all living matter. Unfortunately, pure standards are not readily available, because they usually contribute only 1% to the lipid fraction. A known exception of this is the milky fluid of Hevea brasiliensis, commonly known as latex, in which the furan-FA 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid (9M5) contributes about 90% to the triacylglycerides. In this study, we investigated the content of 9M5 in 30 different disposable latex gloves, which ranged from 0.7 to 8.2 mg/g of glove. The light degradability of 9M5 in latex gloves was investigated, and different amounts of 9M5 in disposable latex gloves were attributed to varying exposure time to light. Additionally, over 100 mg of the methyl or ethyl ester of 9M5 (purity of >98%) could be extracted from disposable latex gloves, employing cold extraction and silver ion chromatography. With this method, standards for the quantitation of furan-FAs are obtained easily and rapidly in all laboratories.

  10. Alkanes from Bioderived Furans by using Metal Triflates and Palladium-Catalyzed Hydrodeoxygenation of Cyclic Ethers.

    Science.gov (United States)

    Song, Hai-Jie; Deng, Jin; Cui, Min-Shu; Li, Xing-Long; Liu, Xin-Xin; Zhu, Rui; Wu, Wei-Peng; Fu, Yao

    2015-12-21

    Using a metal triflate and Pd/C as catalysts, alkanes were prepared from bioderived furans in a one-pot hydrodeoxygenation (HDO) process. During the reaction, the metal triflate plays a crucial role in the ring-opening HDO of furan compounds. The entire reaction process has goes through two major phases: at low temperatures, saturation of the exocyclic double bond and furan ring are catalyzed by Pd/C; at high temperatures, the HDO of saturated furan compounds is catalyzed by the metal triflate. The reaction mechanism was verified by analyzing the changes of the intermediates during the reaction. In addition, different metal triflates, solvents, and catalyst recycling were also investigated. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. A highly bioactive poly (amido amine)/70S30C bioactive glass hybrid with photoluminescent and antimicrobial properties for bone regeneration.

    Science.gov (United States)

    Akbari Dourbash, Fakhraddin; Alizadeh, Parvin; Nazari, Shahram; Farasat, Alireza

    2017-09-01

    The field of tissue engineering constantly calls for novel biomaterials that possess intrinsically multifunctional properties such as bioactivity, bioimaging ability and antibacterial properties. In this paper, poly (amido amine) generation 5/bioactive glass inorganic-organic hybrids have been developed through direct hybridization by 3-glycidoxypropyltrimethoxysilane (GPTMS) as coupling agent. Results indicated that the degree of covalent coupling by GPTMS and the weight percent of inorganic and organic constituents highly influence hybrids properties. It was found that nanoscale integration of inorganic and organic chains by GPTMS significantly endows hybrids with high thermal stability. Furthermore, hybrids exhibited photoluminescent ability (emission 400-600nm and 700nm) without incorporating of any organic dyes or quantum dots. In addition, hydrophilicity of our hybrids indicated good cell/material interaction. The biological apatite was formed on the surface of calcium containing hybrids when soaked in simulated body fluid (SBF) for 1week. Hybrids also showed linear biodegradation behavior in SBF that could be controlled by the degree of covalent crosslinking which was indicative of their stable biodegradation ability. High inherent antibacterial properties against Staphylococcus aureus was also observed from poly (amido amine)/silica hybrids. No adverse cytotoxicity for human gingival fibroblast cell lines (HGF) was detected after 4days. It is envisaged that our novel multifunctional hybrid system will confer intriguing potential in advancing the field of tissue engineering. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Caracterização físico-química, reológica, morfológica e térmica dos amidos de milho normal, ceroso e com alto teor de amilose Physicochemical, rheological, morphological, and thermal characterization of normal, waxy, and high amylose corn starches

    Directory of Open Access Journals (Sweden)

    Fernanda Hart Weber

    2009-12-01

    Full Text Available O objetivo do presente estudo foi avaliar os amidos de milho normal, ceroso e com alto teor de amilose, fabricados pela National Starch, por meio da determinação das suas características físico-químicas, morfológicas, térmicas e reológicas. O amido de milho com alto teor de amilose (AM apresentou teor de amilose igual a 71%, sendo que os valores obtidos para o amido de milho normal (M e o amido de milho ceroso (AP foram de 27,8 e 1,8%, respectivamente. Traços de proteína e lipídios foram encontrados nas amostras. O amido de milho ceroso apresentou maior viscosidade máxima e uma menor tendência à retrogradação, se comparado ao amido de milho normal. O amido AP apresentou menor entalpia de gelatinização, como pode ser observado nas análises de calorimetria exploratória diferencial (DSC, na qual a temperatura de gelatinização foi de 75 °C e o ΔH de 3,34 J.g-1, e também na análise de RVA (Rapid Visco Analyser, em que a temperatura de pasta foi de 71 °C. Apresentando, dessa forma, valores inferiores aos verificados para os outros amidos. O valor do ΔH de retrogradação do amido AP, mostrou-se 25,8% inferior ao ΔH do amido M. O amido AM apresentou o valor de 26,38 J.g-1, demonstrando o maior envolvimento da molécula de amilose no processo de retrogradação. Isso também foi evidenciado pela medida da força dos géis: o gel de AM apresentou força 99,18% superior, retrogradando mais que os outros amidos. As análises de difração de raio X mostraram que os amidos de milho normal e ceroso apresentaram um padrão de difração do tipo A e o amido de milho com alto teor de amilose apresentou padrão do tipo B.The objective of this work was to evaluate normal, waxy, and high amylose corn starches from National Starch, through the determination of the physicochemical, morphological, thermal, and rheological properties. The high amylose corn starch (AM presented amylose content of 71%, and the value of this component for the

  13. Side-chain tunability of furan-containing low-band-gap polymers provides control of structural order in efficient solar cells

    KAUST Repository

    Yiu, Alan T.; Beaujuge, Pierre; Lee, Olivia P.; Woo, Claire; Toney, Michael F.; Frechet, Jean

    2012-01-01

    The solution-processability of conjugated polymers in organic solvents has classically been achieved by modulating the size and branching of alkyl substituents appended to the backbone. However, these substituents impact structural order and charge transport properties in thin-film devices. As a result, a trade-off must be found between material solubility and insulating alkyl content. It was recently shown that the substitution of furan for thiophene in the backbone of the polymer PDPP2FT significantly improves polymer solubility, allowing for the use of shorter branched side chains while maintaining high device efficiency. In this report, we use PDPP2FT to demonstrate that linear alkyl side chains can be used to promote thin-film nanostructural order. In particular, linear side chains are shown to shorten π-π stacking distances between backbones and increase the correlation lengths of both π-π stacking and lamellar spacing, leading to a substantial increase in the efficiency of bulk heterojunction solar cells. © 2011 American Chemical Society.

  14. Side-chain tunability of furan-containing low-band-gap polymers provides control of structural order in efficient solar cells

    KAUST Repository

    Yiu, Alan T.

    2012-02-01

    The solution-processability of conjugated polymers in organic solvents has classically been achieved by modulating the size and branching of alkyl substituents appended to the backbone. However, these substituents impact structural order and charge transport properties in thin-film devices. As a result, a trade-off must be found between material solubility and insulating alkyl content. It was recently shown that the substitution of furan for thiophene in the backbone of the polymer PDPP2FT significantly improves polymer solubility, allowing for the use of shorter branched side chains while maintaining high device efficiency. In this report, we use PDPP2FT to demonstrate that linear alkyl side chains can be used to promote thin-film nanostructural order. In particular, linear side chains are shown to shorten π-π stacking distances between backbones and increase the correlation lengths of both π-π stacking and lamellar spacing, leading to a substantial increase in the efficiency of bulk heterojunction solar cells. © 2011 American Chemical Society.

  15. Formation and reduction of furan in a soy sauce model system.

    Science.gov (United States)

    Kim, Min Yeop; Her, Jae-Young; Kim, Mina K; Lee, Kwang-Geun

    2015-12-15

    The formation and reduction of furan using a soy sauce model system were investigated in the present study. The concentration of furan fermented up to 30 days increased by 211% after sterilization compared to without sterilization. Regarding fermentation temperature, furan level after 30 days' fermentation was the highest at 30°C (86.21 ng/mL). The furan levels in the soy sauce fermentation at 20°C and 40°C were reduced by 45% and 88%, respectively compared to 30°C fermentation. Five metal ions (iron sulfate, zinc sulfate, manganese sulfate, magnesium sulfate, and calcium sulfate), sodium sulfite, ascorbic acid, dibutyl hydroxyl toluene (BHT), and butylated hydroxyanisole (BHA) were added in a soy sauce model system. The addition of metal ions such as magnesium sulfate and calcium sulfate reduced the furan concentration significantly by 36-90% and 27-91%, respectively in comparison to furan level in the control sample (psauce model system by 278% and 87%, respectively. In the case of the BHT and BHA, furan formation generally was reduced in the soy sauce model system by 84%, 56%, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Extração e caracterização de amido de jacatupé (Pachyrhizus ahipa)

    OpenAIRE

    Leonel,Magali; Sarmento,Silene B. S.; Cereda,Marney P.; Cãmara,Francisco L.A.

    2003-01-01

    O gênero Pachyrhizus tem sido estudado como fonte de matéria-prima amilácea devido ao considerável teor de amido nas raízes de suas espécies. Neste trabalho objetivou-se caracterizar raízes de P. ahipa, processar em laboratório para a extração do amido e analisá-lo quanto à composição centesimal, teor de amilose, formato e tamanho de grânulos em microscópio eletrônico de varredura e viscosidade das pastas (RVA). As raízes de P. ahipa apresentaram 18% de massa seca sendo 7,68% amido. O rendime...

  17. Crystal structure and luminescence of complexes of Eu(III) and Tb(III) with furan-2,5-dicarboxylate

    NARCIS (Netherlands)

    Akerboom, S.; Fu, W.T.; Lutz, M.; Bouwman, E.

    2012-01-01

    Four new Ln(III) complexes (Ln = Eu, Tb) with furan-2,5-dicarboxylic acid (H2FDA) as a ligand have been synthesized and characterized in the solid state. Luminescence studies indicate that the compounds exhibit line-like luminescence characteristic of the lanthanide centre upon excitation in the

  18. Furan-2-ylmethylene thiazolidinediones as novel, potent, and selective inhibitors of phosphoinositide 3-kinase gamma.

    Science.gov (United States)

    Pomel, Vincent; Klicic, Jasna; Covini, David; Church, Dennis D; Shaw, Jeffrey P; Roulin, Karen; Burgat-Charvillon, Fabienne; Valognes, Delphine; Camps, Montserrat; Chabert, Christian; Gillieron, Corinne; Françon, Bernard; Perrin, Dominique; Leroy, Didier; Gretener, Denise; Nichols, Anthony; Vitte, Pierre Alain; Carboni, Susanna; Rommel, Christian; Schwarz, Matthias K; Rückle, Thomas

    2006-06-29

    Class I phosphoinositide 3-kinases (PI3Ks), in particular PI3Kgamma, have become attractive drug targets for inflammatory and autoimmune diseases. Here, we disclose a novel series of furan-2-ylmethylene thiazolidinediones as selective, ATP-competitive PI3Kgamma inhibitors. Structure-based design and X-ray crystallography of complexes formed by inhibitors bound to PI3Kgamma identified key pharmacophore features for potency and selectivity. An acidic NH group on the thiazolidinedione moiety and a hydroxy group on the furan-2-yl-phenyl part of the molecule play crucial roles in binding to PI3K and contribute to class IB PI3K selectivity. Compound 26 (AS-252424), a potent and selective small-molecule PI3Kgamma inhibitor emerging from these efforts, was further profiled in three different cellular PI3K assays and shown to be selective for class IB PI3K-mediated cellular effects. Oral administration of 26 in a mouse model of acute peritonitis led to a significant reduction of leukocyte recruitment.

  19. Effect of cooking or handling conditions on the furan levels of processed foods.

    Science.gov (United States)

    Kim, T-K; Lee, Y-K; Park, Y S; Lee, K-G

    2009-06-01

    The aim of this study was to investigate the possible effects of cooking or handling conditions on the concentration of furan in processed foods. The analytical method used to analyse furan levels in foods was optimized based on solid-phase microextraction-gas chromatography-mass spectrometry (SPME-GC-MS). In baby soups, the concentration of furan decreased by up to 22% after opening a lid for 10 min. In the baby food in retort packaging, the level of furan was reduced by 15-33% after heating the foods at 50 degrees C without a lid. Furan in rice seasonings was evaporated completely after heating the foods at 60 degrees C. Regarding powered milk, the levels of furan were too low to be compared under various conditions. The levels of furan decreased to 58% in beverage products for babies, after storing them at 4 degrees C for 1 day without a lid. The levels of furan in canned foods such as cereal and vegetable were reduced by zero to 52% when they were stored without stirring in a refrigerator at 4 degrees C for 1 day. When we boiled canned fish, the furan present was almost completely evaporated. It is recommended that canned meats be heated up to 50-70 degrees C for the reduction (26-46%) of furan levels. The levels of furan in instant and brewed coffee samples were significantly reduced after storing for 11 to 20 min at room temperature without a lid (p < 0.05).

  20. Flame Retardance and Physical Properties of Novel Cured Blends of Unsaturated Polyester and Furan Resins

    Directory of Open Access Journals (Sweden)

    Baljinder Kaur Kandola

    2015-02-01

    Full Text Available Novel blends of two furan resins with an unsaturated polyester have been prepared and cured by parallel free radical (for the unsaturated polyester and acid-catalysed crosslinking (for the furan resin to give co-cured composite materials. Although these materials have inferior physical properties, such as low Tg and low storage modulus compared with those of unsaturated polyester and furan resins alone, they show markedly improved flame retardance compared with that of the normally highly flammable unsaturated polyester. This increased flame retardance arises from a condensed phase mechanism in which the furanic component forms a semi-protective char, reducing rates of thermal degradation and total heat release and heat of combustion. The blends also burn with reduced smoke output compared with that from unsaturated polyester alone.

  1. An Asymmetric Furan/Thieno[3,2-b]Thiophene Diketopyrrolopyrrole Building Block for Annealing-Free Green-Solvent Processable Organic Thin-Film Transistors.

    Science.gov (United States)

    Ding, Shang; Ni, Zhenjie; Hu, Mengxiao; Qiu, Gege; Li, Jie; Ye, Jun; Zhang, Xiaotao; Liu, Feng; Dong, Huanli; Hu, Wenping

    2018-06-21

    A new asymmetric furan and thieno[3,2-b]thiophene flanked diketopyrrolopyrrole (TTFDPP) building block for conjugated polymers is designed and used to generate a donor-acceptor semiconducting polymer, poly[3-(furan-2-yl)-2,5-bis(2-octyldodecyl)-6-(thieno[3,2-b]thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione-alt-thieno[3,2-b]thiophene] (abbreviated to PTTFDPP-TT), consisting of TTFDPP unit copolymerized with thieno[3,2-b]thiophene comonomer (TT), which is further synthesized. Results demonstrate that PTTFDPP-TT-based thin-film transistors in a bottom-gate bottom-contact device configuration exhibit typical hole-transporting property, with weak temperature dependence for charge carrier mobility from room temperature to 200 °C. In addition, the good solubility of PTTFDPP-TT due to the incorporation of a polar furan unit and an asymmetric conjugated structure makes it able to be solution processed with a less toxic nonchlorinated solvent such as toluene, demonstrating comparable performance with that prepared from chlorinated solution. These results suggest PTTFDPP-TT as a promising organic semiconductor candidate for annealing-free, environmentally benign, and less energy-consuming applications in large-area flexible organic electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Extração e caracterização do amido de diferentes genótipos de bananeira

    Directory of Open Access Journals (Sweden)

    Magali Leonel

    2011-10-01

    Full Text Available A banana, uma das principais herbáceas cultivadas em grande quantidade no mundo e importante fonte de energia para as pessoas, tem obtido interesse como matéria-prima para a produção de farinha e fécula para uso alimentício e outros fins industriais, devido ao elevado conteúdo de amido nos frutos verdes. O trabalho teve como objetivo caracterizar os frutos verdes de sete genótipos de bananeira quanto à composição química e avaliar o conteúdo de amilose, propriedades de pasta e térmicas dos amidos destes genótipos. Os resultados obtidos mostraram diferenças significativas na composição química dos frutos, com maior teor de amido na cultivar Figo Cinza. As análises dos amidos mostraram valores de amilose de 26,68 a 33,95% e propriedades de pasta com elevado pico de viscosidade, baixa resistência à temperatura e agitação (quebra de viscosidade e tendência à retrogradação para todos os amidos. Nas propriedades térmicas, os amidos mostraram um endoderma, temperatura de gelatinização na faixa de 60 a 73ºC com DH variando de 11,6 a 16,99 J g-1 na gelatinização e 4,11 a 7,97 J g-1 na retrogradação.

  3. Microbial degradation of furanic compounds : Biochemistry, genetics, and impact

    NARCIS (Netherlands)

    Wierckx, N.; Koopman, F.; Ruijssenaars, H.J.; De Winde, J.H.

    2011-01-01

    Microbial metabolism of furanic compounds, especially furfural and 5-hydroxymethylfurfural (HMF), is rapidly gaining interest in the scientific community. This interest can largely be attributed to the occurrence of toxic furanic aldehydes in lignocellulosic hydrolysates. However, these compounds

  4. Polymerization and curing kinetics of furan resins under conventional and microwave heating

    International Nuclear Information System (INIS)

    Lopez de Vergara, Unai; Sarrionandia, Mariasun; Gondra, Koldo; Aurrekoetxea, Jon

    2014-01-01

    Graphical abstract: - Highlights: • The furan resin structure was investigated using IR and RMN techniques. • The polymerization of furan resins was developed based on multistage kinetics. • Vyazovkin numerical analysis was found the most accurate kinetic method. • Microwave curing of furan resins was much faster than thermal curing. - Abstract: The challenge of this work is the microwave curing study of low free-furfuryl alcohol content furan resins. The chemical characterization of the furan resins has been made by infrared spectroscopy and nuclear magnetic resonance spectroscopy. The chemical composition of the resin and its reactions with p-toluensulfonic acid are proposed, with the aim of understanding the mechanism responsible for the main reactions. The results show the presence of methyl and ether bridges between the furan rings, and the formation of ketone and conjugated structures. Furthermore, the curing kinetics of the furan resins has been characterized by differential scanning calorimetry. Different methods have been applied in order to obtain and compare the activation energy of the process. Vyazovkin numerical analysis was found the most accurate method. Finally, microwave and conventional curing processes has been compared. The analysis showed that microwave curing of furan resins was twice faster than thermal curing

  5. Polymerization and curing kinetics of furan resins under conventional and microwave heating

    Energy Technology Data Exchange (ETDEWEB)

    Lopez de Vergara, Unai, E-mail: bergara@gaiker.es [Plastics and Composites Department, Gaiker IK4 Research Centre, Parque Tecnológico, Ed. 202, 48170 Zamudio Spain (Spain); Mechanical Engineering and Industrial Manufacturing Department, Mondragón Unibertsitatea, Loramendi 4, 20500 Mondragón Spain (Spain); Sarrionandia, Mariasun [Mechanical Engineering and Industrial Manufacturing Department, Mondragón Unibertsitatea, Loramendi 4, 20500 Mondragón Spain (Spain); Gondra, Koldo [Plastics and Composites Department, Gaiker IK4 Research Centre, Parque Tecnológico, Ed. 202, 48170 Zamudio Spain (Spain); Aurrekoetxea, Jon [Mechanical Engineering and Industrial Manufacturing Department, Mondragón Unibertsitatea, Loramendi 4, 20500 Mondragón Spain (Spain)

    2014-04-01

    Graphical abstract: - Highlights: • The furan resin structure was investigated using IR and RMN techniques. • The polymerization of furan resins was developed based on multistage kinetics. • Vyazovkin numerical analysis was found the most accurate kinetic method. • Microwave curing of furan resins was much faster than thermal curing. - Abstract: The challenge of this work is the microwave curing study of low free-furfuryl alcohol content furan resins. The chemical characterization of the furan resins has been made by infrared spectroscopy and nuclear magnetic resonance spectroscopy. The chemical composition of the resin and its reactions with p-toluensulfonic acid are proposed, with the aim of understanding the mechanism responsible for the main reactions. The results show the presence of methyl and ether bridges between the furan rings, and the formation of ketone and conjugated structures. Furthermore, the curing kinetics of the furan resins has been characterized by differential scanning calorimetry. Different methods have been applied in order to obtain and compare the activation energy of the process. Vyazovkin numerical analysis was found the most accurate method. Finally, microwave and conventional curing processes has been compared. The analysis showed that microwave curing of furan resins was twice faster than thermal curing.

  6. Furan levels in fruit and vegetables juices, nutrition drinks and bakery products.

    Science.gov (United States)

    Wegener, Jan-Willem; López-Sánchez, Patricia

    2010-07-05

    Furan, an oxygen containing monocyclic aromatic hydrocarbon, is considered possibly carcinogenic to humans. In the framework of the EU-project "Role of Genetic and Non-Genetic Mechanisms in Furan Risk", furan levels in food have been collected from the literature. Three food type categories have been selected on the basis of the collected data for sampling and analysis on furan with headspace GC-MS. This paper describes the results for the selected food categories, fruit and vegetables juices, nutrition drinks and bakery products. An attempt has been made to correlate the furan levels with the ingredients of the products. Copyright 2010 Elsevier B.V. All rights reserved.

  7. Abundant Rodent Furan-Derived Urinary Metabolites Are Associated with Tobacco Smoke Exposure in Humans.

    Science.gov (United States)

    Grill, Alex E; Schmitt, Thaddeus; Gates, Leah A; Lu, Ding; Bandyopadhyay, Dipankar; Yuan, Jian-Min; Murphy, Sharon E; Peterson, Lisa A

    2015-07-20

    Furan, a possible human carcinogen, is found in heat treated foods and tobacco smoke. Previous studies have shown that humans are capable of converting furan to its reactive metabolite, cis-2-butene-1,4-dial (BDA), and therefore may be susceptible to furan toxicity. Human risk assessment of furan exposure has been stymied because of the lack of mechanism-based exposure biomarkers. Therefore, a sensitive LC-MS/MS assay for six furan metabolites was applied to measure their levels in urine from furan-exposed rodents as well as in human urine from smokers and nonsmokers. The metabolites that result from direct reaction of BDA with lysine (BDA-N(α)-acetyllysine) and from cysteine-BDA-lysine cross-links (N-acetylcysteine-BDA-lysine, N-acetylcysteine-BDA-N(α)-acetyllysine, and their sulfoxides) were targeted in this study. Five of the six metabolites were identified in urine from rodents treated with furan by gavage. BDA-N(α)-acetyllysine, N-acetylcysteine-BDA-lysine, and its sulfoxide were detected in most human urine samples from three different groups. The levels of N-acetylcysteine-BDA-lysine sulfoxide were more than 10 times higher than that of the corresponding sulfide in many samples. The amount of this metabolite was higher in smokers relative to that in nonsmokers and was significantly reduced following smoking cessation. Our results indicate a strong relationship between BDA-derived metabolites and smoking. Future studies will determine if levels of these biomarkers are associated with adverse health effects in humans.

  8. Effects of heat-induced food contaminant furan on reproductive system of male rats from weaning through postpuberty.

    Science.gov (United States)

    Karacaoğlu, Elif; Selmanoğlu, Güldeniz

    2010-05-01

    Furan (C(4)H(4)O) is a volatile, colorless liquid and is used in some segments of the chemical manufacturing industry. It is found in variety of foods such as coffee, jarred and canned foods that undergo heat treatment. This study was designed to investigate the effect of furan exposure on reproductive system of male rats. Three to four weeks old rats were exposed to furan at 2, 4 and 8 mg/kg/day doses by orally for 90 days. Hematology, weights, histology and morphometry of reproductive organs, serum LH and testosterone levels, sperm count and morphology and apoptosis in testis were evaluated. Slight changes were observed in hematological parameters of furan-treated rats. The weights of seminal vesicle reduced significantly whereas the weights of prostate increased significantly in the highest furan dose group. LH and testosterone levels decreased in furan-treated rats. Histological examinations have revealed that furan caused impairments in testis, epididymis and prostate gland. Furan showed no effects on sperm counts and morphology. On the other hand apoptotic cells in testis increased significantly. According to morphometrical examination, the epithelial heights and lumen diameters of the reproductive organs have changed in treatment groups. These results indicate that subchronic furan treatment induces toxicity of the male reproductive system. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  9. Structural and theoretical study of 1-[1-oxo-3-phenyl-(2-benzosulfonamide)-propyl amido] - anthracene-9,10-dione to be i-motif inhibitor

    Science.gov (United States)

    Vatsal, Manu; Devi, Vandna; Awasthi, Pamita

    2018-04-01

    The 1-[1-oxo-3-phenyl-(2-benzosulfonamide)-propyl amido] - anthracene-9,10-dione (BPAQ) an analogue of anthracenedione class of antibiotic has been synthesized. To characterize molecular functional groups FT-IR and FT-Raman spectrum were recorded and vibrational frequencies were assigned accordingly. The optimized geometrical parameters, vibrational assignments, chemical shifts and thermodynamic properties of title compound were computed by ab initio calculations at Density Functional Theory (DFT) method with 6-31G(d,p) as basis set. The calculated harmonic vibrational frequencies of molecule were then analysed in comparison to experimental FT-IR and Raman spectrum. Gauge independent atomic orbital (GIAO) method was used for determining, (1H) and carbon (13C) nuclear magnetic resonance (NMR) spectra of the molecule. Molecular parameters were calculated along with its periodic boundary conditions calculation (PBC) analysis supported by X-ray diffraction studies. The frontier molecular orbital (HOMO, LUMO) analysis describes charge distribution and stability of the molecule which concluded that nucleophilic substitution is more preferred and the mullikan charge analysis also confirmed the same. Further the title compound showed an inhibitory action at d(TCCCCC), an intermolecular i-motif sequence, hence molecular docking study suggested the inhibitory activity of the compound at these junction.

  10. Tidbits for the synthesis of bis(2-sulfanylethyl)amido (SEA) polystyrene resin, SEA peptides and peptide thioesters.

    Science.gov (United States)

    Ollivier, Nathalie; Raibaut, Laurent; Blanpain, Annick; Desmet, Rémi; Dheur, Julien; Mhidia, Reda; Boll, Emmanuelle; Drobecq, Hervé; Pira, Silvain L; Melnyk, Oleg

    2014-02-01

    Protein total chemical synthesis enables the atom-by-atom control of the protein structure and therefore has a great potential for studying protein function. Native chemical ligation of C-terminal peptide thioesters with N-terminal cysteinyl peptides and related methodologies are central to the field of protein total synthesis. Consequently, methods enabling the facile synthesis of peptide thioesters using Fmoc-SPPS are of great value. Herein, we provide a detailed protocol for the preparation of bis(2-sulfanylethyl)amino polystyrene resin as a starting point for the synthesis of C-terminal bis(2-sulfanylethyl)amido peptides and of peptide thioesters derived from 3-mercaptopropionic acid. Copyright © 2013 European Peptide Society and John Wiley & Sons, Ltd.

  11. Full solar spectrum light driven thermocatalysis with extremely high efficiency on nanostructured Ce ion substituted OMS-2 catalyst for VOCs purification

    Science.gov (United States)

    Hou, Jingtao; Li, Yuanzhi; Mao, Mingyang; Yue, Yuanzheng; Greaves, G. Neville; Zhao, Xiujian

    2015-01-01

    The nanostructured Ce ion substituted cryptomelane-type octahedral molecular sieve (OMS-2) catalyst exhibits strong absorption in the entire solar spectrum region. The Ce ion substituted OMS-2 catalyst can efficiently transform the absorbed solar energy to thermal energy, resulting in a considerable increase of temperature. By combining the efficient photothermal conversion and thermocatalytic activity of the Ce ion substituted OMS-2 catalyst, we carried out full solar spectrum, visible-infrared, and infrared light driven catalysis with extremely high efficiency. Under the irradiation of full solar spectrum, visible-infrared, and infrared light, the Ce ion substituted OMS-2 catalyst exhibits extremely high catalytic activity and excellent durability for the oxidation of volatile organic pollutants such as benzene, toluene, and acetone. Based on the experimental evidence, we propose a novel mechanism of solar light driven thermocatalysis for the Ce ion substituted OMS-2 catalyst. The reason why the Ce ion substituted OMS-2 catalyst exhibits much higher catalytic activity than pure OMS-2 and CeO2/OMS-2 nano composite under the full solar spectrum irradiation is discussed.The nanostructured Ce ion substituted cryptomelane-type octahedral molecular sieve (OMS-2) catalyst exhibits strong absorption in the entire solar spectrum region. The Ce ion substituted OMS-2 catalyst can efficiently transform the absorbed solar energy to thermal energy, resulting in a considerable increase of temperature. By combining the efficient photothermal conversion and thermocatalytic activity of the Ce ion substituted OMS-2 catalyst, we carried out full solar spectrum, visible-infrared, and infrared light driven catalysis with extremely high efficiency. Under the irradiation of full solar spectrum, visible-infrared, and infrared light, the Ce ion substituted OMS-2 catalyst exhibits extremely high catalytic activity and excellent durability for the oxidation of volatile organic pollutants

  12. Obtenção e caracterização do amido do endocarpo da manga Tommy Atkins proveniente do resíduo agroindustrial

    Directory of Open Access Journals (Sweden)

    Eliane Alves Onias

    2015-05-01

    Full Text Available A agroindústria da manga é uma atividade em expansão e produz grande volume de resíduos que não são reaproveitados, mas descartados de forma inadequada. O objetivo deste trabalho é obter e caracterizar o amido da amêndoa do endocarpo da manga, variedade Tommy Atkins, proveniente dos resíduos agroindustriais para que esse possa ser usado na formulação de novos produtos na indústria alimentícia. A amêndoa e o amido foram caracterizados através de análises físico-químicas. A amêndoa da manga Tommy Atkins apesentou umidade de 59,00%, cinza de 1,16%, teor de lipídio de 4,17%, proteína de 3,79% e quase 50% de carboidratos totais. No processo de extração do amido variando a concentração da solução de extração e o tempo de trituração da amêndoa, de acordo com planejamento experimental,observou-se rendimento de extração variando de 18,28 à 27,11%. A qualidade do amido é influenciada pela concentração dos outros componentes presentes, sendo assim, o amido extraído apresentou boa qualidade com teor de umidade de 10,4%, proteína de 2,49%, cinzas de 0,07% e lipídios de 4,6%. O amido apresentou características desejáveis podendo ser largamente utilizado na indústria de alimentos.

  13. The average effective dose of 4-amino-5-(furan-2-yl-4H-1 ,2,4-triazole-3-thiol in experimental hepatitis

    Directory of Open Access Journals (Sweden)

    I. M. Belay

    2014-04-01

    Full Text Available The work presents the research of the average effective dose of 4-amino-5-(furan-2-yl-4H-1,2,4-triazole-3-thiol in experimental hepatitis. Recalculations conducted for the human with the sensitivity coefficient, average effective dose for human is 13,87 mg/kg.

  14. Niobium(V) chloride as catalyst in Diels-Alder reaction of furan ring

    International Nuclear Information System (INIS)

    Santos, Deborah A. dos; Rodrigues, Ludmila R.; Arpini, Bruno H.; Lacerda Junior, Valdemar; Greco, Sandro J.; Santos, Reginaldo B. dos; Neto, Alvaro C.; Castro, Eustaquio V.R. de

    2014-01-01

    According to the relevant literature, the Diels-Alder reaction of furan without a catalyst can last several weeks and shows a low yield due to the diene’s low reactivity. The use of Lewis acid catalysts or high pressures is described as an effective method for improving the reaction yields. This paper describes our recent study on the use of niobium pentachloride as the catalyst in Diels-Alder reactions between furan and several reactive dienophiles, among which methyl acrylate showed good yields, especially at lower temperatures. Other dienophiles have shown lower yields because of problems such as byproduct formation and the high reversibility of the reaction. (author)

  15. Niobium(V) chloride as catalyst in Diels-Alder reaction of furan ring

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Deborah A. dos; Rodrigues, Ludmila R.; Arpini, Bruno H.; Lacerda Junior, Valdemar; Greco, Sandro J.; Santos, Reginaldo B. dos; Neto, Alvaro C.; Castro, Eustaquio V.R. de, E-mail: vljuniorqui@gmail.com [Universidade Federal do Espirito Santo (UFES), Vitoria, ES (Brazil). Dept. de Quimica; Romao, Wanderson [Instituto Federal de Educacao, Ciencia e Tecnologia (IFES), Vila Velha, ES (Brazil)

    2014-05-15

    According to the relevant literature, the Diels-Alder reaction of furan without a catalyst can last several weeks and shows a low yield due to the diene’s low reactivity. The use of Lewis acid catalysts or high pressures is described as an effective method for improving the reaction yields. This paper describes our recent study on the use of niobium pentachloride as the catalyst in Diels-Alder reactions between furan and several reactive dienophiles, among which methyl acrylate showed good yields, especially at lower temperatures. Other dienophiles have shown lower yields because of problems such as byproduct formation and the high reversibility of the reaction. (author)

  16. Síntese fotoquímica e caracterização de nanopartículas de prata na presença de amido

    OpenAIRE

    Santos, Michele Avila dos

    2017-01-01

    Neste trabalho, foi realizada a síntese de nanopartículas de prata (AgNP) por via fotoquímica na presença de amido, com o intuito de desenvolver uma rota sustentável de custo baixo e, assim, atribuir ao amido características que potencializem o seu uso e permitam o seu emprego em diversas áreas. Inicialmente, suspensões de amido de mandioca acetilado e de amido de batata foram testadas como agentes nucleantes e redutores por meio de análises de espectroscopia de absorção UV-vis e espectroscop...

  17. Scientific opinion: Risks for public health related to the presence of furan and methylfurans in food

    NARCIS (Netherlands)

    Knutsen, Helle Katrine; Alexander, Jan; Barregård, Lars; Bignami, Margherita; Brüschweiler, Beat; Ceccatelli, Sandra; Cottrill, Bruce; Dinovi, Michael; Edler, Lutz; Grasl-Kraupp, Bettina; Hogstrand, Christer; Hoogenboom, L.A.P.; Nebbia, Carlo Stefano; Oswald, Isabelle P.; Petersen, Annette; Rose, Martin; Roudot, Alain-Claude; Schwerdtle, Tanja; Vleminckx, Christiane; Vollmer, Günter; Chipman, Kevin; Meulenaer, De Bruno; Dinovi, Michael; Mennes, Wim; Schlatter, Josef; Schrenk, Dieter; Baert, Katleen; Dujardin, Bruno; Wallace, Heather

    2017-01-01

    The European Commission asked EFSA for a scientific evaluation on the risk to human health of the presence of furan and methylfurans (2-methylfuran, 3-methylfuran and 2,5-dimethylfuran) in food. They are formed in foods during thermal processing and can co-occur. Furans are produced from several

  18. Biomonitoring of organic airborne pollutants in particular dioxins and furans

    International Nuclear Information System (INIS)

    Nobel, W.; Maier-Reiter, W.; Sommer, B.; Finkbeiner, M.

    1992-01-01

    Standardised grass and borecole cultures were used as bioindicators in the course of planning procedures for emitters. The studies show that such standardised cultures are suitable cumulative indicators of the dioxin and furan content of the atmosphere. Accumulation of dioxins and furans at the site are also evident in the naturally growing vegetation. The levels found for dioxins and furans are calculated by estimating health risks by means of a model of pollutant transfer within the human food chain. (orig.) [de

  19. Covalent modification of cytochrome c by reactive metabolites of furan.

    Science.gov (United States)

    Phillips, Martin B; Sullivan, Mathilde M; Villalta, Peter W; Peterson, Lisa A

    2014-01-21

    Metabolism of the hepatotoxicant furan leads to protein adduct formation in the target organ. The initial bioactivation step involves cytochrome P450-catalyzed oxidation of furan, generating cis-2-butene-1,4-dial (BDA). BDA reacts with lysine to form pyrrolin-2-one adducts. Metabolic studies indicate that BDA also reacts with glutathione (GSH) to generate 2-(S-glutathionyl)butanedial (GSH-BDA), which then reacts with lysine to form GSH-BDA-lysine cross-links. To explore the relative reactivity of these two reactive intermediates, cytochrome c was reacted with BDA in the presence and absence of GSH. As judged by MALDI-TOF mass spectrometry, BDA reacts extensively with cytochrome c to form adducts that add 66 Da to the protein, consistent with the formation of pyrrolinone adducts. Addition of GSH to the reaction mixture reduced the overall extent of adduct formation. The mass of the adducted protein was shifted by 355 Da as expected for GSH-BDA-protein cross-link formation. LC-MS/MS analysis of the tryptic digests of the alkylated protein indicated that the majority of adducts occurred on lysine residues, with BDA reacting less selectively than GSH-BDA. Both types of adducts may contribute to the toxic effects of furan.

  20. Efeito da acidificação nas propriedades físico-químicas e funcionais do amido de sementes de manga (Mangifera indica L., variedade Tommy Atkins

    Directory of Open Access Journals (Sweden)

    Marianne Louise Marinho Mendes

    2015-06-01

    Full Text Available No processamento industrial da manga, os subprodutos, caroço e casca são, normalmente, descartados sem o devido aproveitamento. O objetivo deste trabalho foi investigar as características físico-químicas e funcionais dos amidos nativo e acidificado do caroço (amêndoa de manga, da variedade Tommy Atkins, pesquisando uma nova fonte de amido e formas de melhorá-la e contribuir para a utilização de resíduos da indústria alimentícia. As amêndoas foram retiradas manualmente dos caroços de manga e procedeu-se a extração do amido. O amido nativo foi acidificado, sendo o agente promotor da modificação o ácido clorídrico. Verificou-se a composição química do amido nativo. Determinaram-se também as propriedades funcionais e de pasta do amido nativo e do acidificado. Para a composição centesimal, o amido nativo apresentou 71,56% de amido, 7,30% de lipídeos e 5,6% de proteínas. Os amidos nativo e acidificado demonstraram baixa resistência à elevação da temperatura, com intumescimento máximo a 75 oC, sendo seus valores 9,395 e 6,861 g/g, respectivamente. A solubilidade mostrou-se crescente, à medida que houve elevação da temperatura, sendo seu valor máximo 48,03% para o amido acidificado. O amido nativo expôs maior capacidade de absorção de água, óleo e claridade da pasta. O referido amido ainda apresentou maior pico de viscosidade, viscosidade mínima, quebra de viscosidade, viscosidade final, retrogradação e temperatura de pasta do que os do amido acidificado. O amido nativo pode ser indicado para compor sopas desidratadas e produtos cárneos, enquanto o acidificado pode ser usado em alimentos congelados e refrigerados e na indústria de balas.

  1. Low porosity portland cement pastes based on furan polymers

    International Nuclear Information System (INIS)

    Darweesh, H.H.M.

    2005-01-01

    The effect of three different types of Furan polymers on the porosity, mechanical properties, mechanism of hydration and microstructure of Ordinary Portland cement (OPC) pastes was investigated. The results showed that mixing the OPC with Furan polymers, the standard water of consistency of the different cement pastes decreases and therefore the setting times (initial and final) are shortened. The total porosity of the hardened cement pastes decreased, while the mechanical properties improved and enhanced at all curing ages of hydration compared with those of the pure OPC pastes. The hydration process with Furan polymers proceeded according to the following decreasing order: F.ac. > F.ph. > F.alc. > OPC

  2. Theoretical research relating to excitation spectrum of furan. Application of integral direct coupled cluster linear response (direct CCLR) method; Furan no reiki supekutoru ni kansuru ronriteki kenkyu. Integral-direct Coupled Cluster Linear Response (direct CCLR) ho no tekiyo

    Energy Technology Data Exchange (ETDEWEB)

    Shigemitsu, Yasuhiro. [Nagasaki Industrial Technology Center, Nagasaki (Japan)

    1999-07-01

    heoretical researches relating to excitation spectrum of furan have been carried out for many years, and they reveal the problems that should be solved in order to predict highly reliable excitation energy. In general, it is difficult to uniformly obtain highly reliable calculation results for all excitation states since different excitation states show different electronic correlative effects. Means for obtaining the electron states in ground state and excited state and calculating the energy difference thereof is the mainstream of the theoretical calculation of the excitation energy. CASSCF/CASPT 2 developed by Roos et al. is a typical method excellent in quantitative description. Recently, the comparison between direct CCLR and CASSCF/CASPT 2 as examples for calculating the excitation spectrum of furan was carried out by using the same ground function. For Rydberg excitation, CC3, CAS, CASPT 2 show good agreement with each other. (NEDO)

  3. Furanic compounds and furfural in different coffee products by headspace liquid-phase micro-extraction followed by gas chromatography-mass spectrometry: survey and effect of brewing procedures.

    Science.gov (United States)

    Chaichi, Maryam; Ghasemzadeh-Mohammadi, Vahid; Hashemi, Maryam; Mohammadi, Abdorreza

    2015-01-01

    In this study, the levels of furan, 2-methylfuran, 2,5-dimethylfuran, vinyl furan, 2-methoxymethyl-furan and furfural in different coffee products were evaluated. Simultaneous determination of these six furanic compounds was performed by a head space liquid-phase micro-extraction (HS-LPME) method. A total of 67 coffee powder samples were analysed. The effects of boiling and espresso-making procedures on the levels of furanic compounds were investigated. The results showed that different types of coffee samples contained different concentrations of furanic compounds, due to the various processing conditions such as temperature, degree of roasting and fineness of grind. Among the different coffee samples, the highest level of furan (6320 µg kg⁻¹) was detected in ground coffee, while coffee-mix samples showed the lowest furan concentration (10 µg kg⁻¹). Levels in brewed coffees indicated that, except for furfural, brewing by an espresso machine caused significant loss of furanic compounds.

  4. Propriedades físico-químicas do amido de aveia da variedade brasileira IAC 7 Physicochemical properties of IAC 7 oat starch from Brazilian cultivars

    Directory of Open Access Journals (Sweden)

    Melicia Cintia Galdeano

    2009-12-01

    Full Text Available Este estudo caracterizou o amido de aveia da variedade IAC-7 quanto às suas características químicas, reológicas, funcionais e térmicas. O amido de aveia apresentou 1,36% de lipídios, 32,23% de amilose e baixa capacidade retrogradante (9,19% após 30 dias de armazenagem. Embora o amido de aveia tenha apresentado alto teor de amilose, sua baixa retrogradação pode ser devida à presença dos lipídios que, por impedimento estérico, dificultariam a reaproximação das cadeias poliméricas. O comportamento reológico das pastas de amido de aveia foi caracterizado como sendo pseudoplático. A baixa temperatura de gelatinização (64,71 °C do amido de aveia também pode estar relacionada ao maior teor de lipídio deste amido.This study characterized the chemical, rheological, functional and thermal properties of oat starch of IAC-7 variety. The oat starch showed 1.36% of lipids, 32.23% of amylose and low retrogradation capacity (9.19% after 30 days of storage. Although the oat starch has presented high amylose content, its low retrogradation may be due to the presence of lipids that by steric impediment could make it difficult for the polymeric chains to approach. The rheological behavior of oat starch was characterized as pseudoplastic. The low gelatinization temperature (64.71 °C of the starch may be related to its higher lipid content.

  5. Magnetically modified sheaths of Leptothrix sp as an adsorbent for Amido black 10B removal

    Czech Academy of Sciences Publication Activity Database

    Angelova, R.; Baldíková, E.; Pospíšková, K.; Šafaříková, Miroslava; Šafařík, Ivo

    2017-01-01

    Roč. 427, April (2017), s. 314-319 ISSN 0304-8853 Institutional support: RVO:60077344 Keywords : Leptothrix sp. * sheaths * magnetic fluid * magnetic iron oxide * magnetic adsorbent * Amido black 10B Subject RIV: DJ - Water Pollution ; Quality OBOR OECD: Materials engineering Impact factor: 2.630, year: 2016

  6. Timpanismo gastrointestinal em equídeos alimentados com Panicum maximum com alto conteúdo de amido

    Directory of Open Access Journals (Sweden)

    Taciane M. Souza

    Full Text Available RESUMO: Timpanismo intestinal agudo em cavalos e mulas introduzidos em pastagens de Panicum maximum cv. Tanzânia, cv. Massai e cv. Mombaça são relatados na região norte do Brasil, durante o período das chuvas. As causas são desconhecidas, porém, tem sido sugerido que estão associados a um maior armazenamento de carboidratos não fibrosos na gramínea. Este trabalho teve por objetivos realizar um levantamento epidemiológico dos surtos de cólicas ocorridos no Estado de Rondônia, assim como contribuir com o estudo da ação dos carboidratos de P. maximum na ocorrência da doença. Para isso foram realizadas visitas em 10 propriedades que apresentaram casos da enfermidade. Em duas propriedades foram introduzidos equinos no mês de março e foram coletadas amostras de pastagens para a determinação de energia digestiva, lisina, matéria seca, carboidratos solúveis em água, carboidratos solúveis em éter, carboidratos não fibrosos, fibra de detergente neutra, fibra de detergente ácido, lignina, amido, gordura e proteína bruta. Essas determinações foram realizadas, também, em amostras de pastagens de P. maximum de outras propriedades onde não estavam ocorrendo cólicas e das pastagens de Cynodon dactylon de onde provinham os equinos. Os resultados mostraram que os surtos de cólica ocorrem na época de chuva, quando as pastagens estão rebrotando com uma morbidade de 31,6%, e letalidade de 86,1%. As análises bromatológicas mostraram uma diferença significativa nas concentrações de amido (P=0,0072 do P. maximum que causou cólica (8,3 % e 9,2%, quando comparado com o P. maximum das outras propriedades (0,9% e 4,3% e com o Tifton, utilizado previamente na alimentação dos mesmos equinos (0,2% e 0,8%. Em outra fazenda a doença foi reproduzida experimentalmente em um equino, no mês de março administrando P. maximum cortado contendo 6,5% de amido. A mesma pastagem não causou cólica quando foi administrada a equinos entre os

  7. Background Contamination by Coplanar Polychlorinated Biphenyls (PCBS) in Trace Level High Resolution Gas Chromatography/High Resolution Mass Spectrometry (HRGC/HRMS) Analytical Procedures

    Science.gov (United States)

    The addition of the "dioxin-like" polychlorinated biphenyl (PCB) congeners to the assessment of risk associated with the 2,3,7,8-chlorine substituted dioxins and furans has dramatically increased the number of laboratories worldwide that are developing analytical procedures for t...

  8. On the quantitative Amido Black B staining of protein spots in agar gel at low local protein concentrations

    NARCIS (Netherlands)

    Jansen, M.T.

    1962-01-01

    Protein spots in agar gel of identical protein content but different in surface area are found to bind different amounts of dye upon staining with Amido Black B. The lower the protein concentration within the agar gel, the more the Amido Black B content of the spot falls short of the value expected

  9. Mononuclear Amido and Binuclear Imido Zirconium Complexes Supported by Dibenzotetraaza[14]annulene Ligands. X-ray Structure of [(Me(4)taa)Zr(&mgr;-NR)(2)Zr(NHR)(2)] (R = Bu(t) or 2,6-C(6)H(3)Me(2)).

    Science.gov (United States)

    Nikonov, Georgii I.; Blake, Alexander J.; Mountford, Philip

    1997-03-12

    Reaction of 2 equiv of Li[NH-2,6-C(6)H(3)R(2)] with [(Me(4)taa)ZrCl(2)] (Me(4)taaH(2) = tetramethyldibenzotetraaza[14]annulene) gives the bis(amido) derivatives [(Me(4)taa)Zr(NH-2,6-C(6)H(3)R(2))(2)] [R = Pr(i) (1) and Me (2)]. Addition of Me(4)taaH(2) to [Zr(N-2,6-C(6)H(3)Pr(i)(2))(NH-2,6-C(6)H(3)Pr(i)(2))(2)(py)(2)] also affords 1. The reaction of 2 equiv of aryl or alkyl amines H(2)NR with the bis(alkyl) complex [(Me(4)taa)Zr(CH(2)SiMe(3))(2)] is the most versatile method for preparing [(Me(4)taa)Zr(NHR)(2)] (R = 2,6-C(6)H(3)Pr(i)(2), 2,6-C(6)H(3)Me(2), Ph, or Bu(t)). Reaction of 1 equiv of Me(4)taaH(2) with the binuclear complexes [(Bu(t)NH)(2)Zr(&mgr;-NBu(t))(2)Zr(NHBu(t))(2)] or [(py)(HN-2,6-C(6)H(3)Me(2))(2)Zr(&mgr;-N-2,6-C(6)H(3)Me(2))(2)Zr(NH-2,6-C(6)H(3)Me(2))(2)(py)] gives the asymmetrically substituted derivatives [(Me(4)taa)Zr(&mgr;-NR)(2)Zr(NHR)(2)] [R = Bu(t) (6) or 2,6-C(6)H(3)Me(2) (8)], which have been crystallographically characterized.

  10. Furan-induced hepatotoxic and hematologic changes in diabetic rats: the protective role of lycopene.

    Science.gov (United States)

    Baş, Hatice; Pandır, Dilek; Kalender, Suna

    2016-09-01

    Furan forms as a result of thermal treatment of food and induces harmful effects on organisms. In our work, lycopene, furan, and a combination of the two were given to diabetic male rats for 28 days. Hematological changes, total protein and cholesterol, triglyceride, and albumin levels, alanine aminotransferase, aspartate aminotransferase, lactate dehydrogenase, and alkaline phosphatase activities of the serum, malondialdehyde levels, glutathione peroxidase, catalase, glutathione-S-transferase, superoxide dismutase activities, DNA damage in liver tissues and hepatic histopathological alterations were compared to a control group. There were significant changes in the liver function tests, DNA damage, activities of antioxidant enzymes, and malondialdehyde levels between diabetic control and non-diabetic control groups, between diabetic control and diabetic lycopene groups, and also between diabetic furan and diabetic control groups. In diabetic lycopene and diabetic furan + lycopene treated groups we designated the preventive effects of lycopene against diabetes and furan, however, on the analysed parameters only. In spite of some pathological alterations designated in diabetic furan treated group's liver, fewer pathological alterations were observed in furan+lycopene treated groups at the end of week 4. Consequently, lycopene significantly reduced furan- and diabetes-induced toxicity in rat liver.

  11. Room Temperature Synthesis and Antibacterial Activity of New Sulfonamides Containing N,N-Diethyl-Substituted Amido Moieties

    Directory of Open Access Journals (Sweden)

    Olayinka O. Ajani

    2012-01-01

    Full Text Available Sulfonamide drugs which have brought about an antibiotic revolution in medicine are associated with a wide range of biological activities. We have synthesized a series of α-tolylsulfonamide, 1–11 and their substituted N,N-diethyl-2-(phenylmethylsulfonamido alkanamide derivatives, 12–22 in improved and excellent yields in aqueous medium at room temperature through highly economical synthetic routes. The chemical structures of the synthesized compounds 1–22 were confirmed by analytical and spectral data such as IR, 1H- and 13C-NMR, and mass spectra. The in vitro antibacterial activity of these compounds along with standard clinical reference, streptomycin, was investigated on two key targeted organisms. It was observed that 1-(benzylsulfonylpyrrolidine-2-carboxylic acid, 2 emerged as the most active compound against Staphylococcus aureus at MIC value of 1.8 μg/mL while 4-(3-(diethylamino-3-oxo-2-(phenylmethylsulfonamido propylphenyl phenylmethanesulfonate, 22 was the most active sulfonamide scaffold on Escherichia coli at MIC value of 12.5 μg/mL.

  12. Bioreducible poly(amido amine)s for non-viral gene delivery

    NARCIS (Netherlands)

    Lin, C.

    2008-01-01

    This thesis describes the design and development of bioreducible poly(amido amine)s as non-viral vectors for gene delivery in vitro and in vivo. The structural influences of these polymers on their physico-chemical properties and gene delivery properties, transfection capability and cytotoxicity in

  13. Formation and reduction of carcinogenic furan in various model systems containing food additives.

    Science.gov (United States)

    Kim, Jin-Sil; Her, Jae-Young; Lee, Kwang-Geun

    2015-12-15

    The aim of this study was to analyse and reduce furan in various model systems. Furan model systems consisting of monosaccharides (0.5M glucose and ribose), amino acids (0.5M alanine and serine) and/or 1.0M ascorbic acid were heated at 121°C for 25 min. The effects of food additives (each 0.1M) such as metal ions (iron sulphate, magnesium sulphate, zinc sulphate and calcium sulphate), antioxidants (BHT and BHA), and sodium sulphite on the formation of furan were measured. The level of furan formed in the model systems was 6.8-527.3 ng/ml. The level of furan in the model systems of glucose/serine and glucose/alanine increased 7-674% when food additives were added. In contrast, the level of furan decreased by 18-51% in the Maillard reaction model systems that included ribose and alanine/serine with food additives except zinc sulphate. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. Heterolytic cleavage of ammonia N-H bond by bifunctional activation in silica-grafted single site Ta(V) imido amido surface complex. Importance of the outer sphere NH3 assistance

    KAUST Repository

    Gouré, Eric

    2011-01-01

    Ammonia N-H bond is cleaved at room temperature by the silica-supported tantalum imido amido complex [(≡SiO)2Ta(NH)(-NH2)], 2, if excess ammonia is present, but requires 150 °C to achieve the same reaction if only one equivalent NH3 is added to 2. MAS solid-state 15N NMR and in situ IR spectroscopic studies of the reaction of either 15N or 2H labeled ammonia with 2 show that initial coordination of the ammonia is followed by scrambling of either 15N or 2H among ammonia, amido and imido groups. Density functional theory (DFT) calculations with a cluster model [{(μ-O)[(H3SiO) 2SiO]2}Ta(NH)(-NH2)(NH3)], 2 q·NH3, show that the intramolecular H transfer from Ta-NH2 to TaNH is ruled out, but the H transfers from the coordinated ammonia to the amido and imido groups have accessible energy barriers. The energy barrier for the ammonia N-H activation by the Ta-amido group is energetically preferred relative to the Ta-imido group. The importance of excess NH3 for getting full isotope scrambling is rationalized by an outer sphere assistance of ammonia acting as proton transfer agent, which equalizes the energy barriers for H transfer from coordinated ammonia to the amido and imido groups. In contrast, additional coordinated ammonia does not favor significantly the H transfer. These results rationalize the experimental conditions used. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2011.

  15. A novel tool for studying auxin-metabolism: the inhibition of grapevine indole-3-acetic acid-amido synthetases by a reaction intermediate analogue.

    Directory of Open Access Journals (Sweden)

    Christine Böttcher

    Full Text Available An important process for the regulation of auxin levels in plants is the inactivation of indole-3-acetic acid (IAA by conjugation to amino acids. The conjugation reaction is catalysed by IAA-amido synthetases belonging to the family of GH3 proteins. Genetic approaches to study the biological significance of these enzymes have been hampered by large gene numbers and a high degree of functional redundancy. To overcome these difficulties a chemical approach based on the reaction mechanism of GH3 proteins was employed to design a small molecule inhibitor of IAA-amido synthetase activity. Adenosine-5'-[2-(1H-indol-3-ylethyl]phosphate (AIEP mimics the adenylated intermediate of the IAA-conjugation reaction and was therefore proposed to compete with the binding of MgATP and IAA in the initial stages of catalysis. Two grapevine IAA-amido synthetases with different catalytic properties were chosen to test the inhibitory effects of AIEP in vitro. GH3-1 has previously been implicated in the grape berry ripening process and is restricted to two amino acid substrates, whereas GH3-6 conjugated IAA to 13 amino acids. AIEP is the most potent inhibitor of GH3 enzymes so far described and was shown to be competitive against MgATP and IAA binding to both enzymes with K(i-values 17-68-fold lower than the respective K(m-values. AIEP also exhibited in vivo activity in an ex planta test system using young grape berries. Exposure to 5-20 µM of the inhibitor led to decreased levels of the common conjugate IAA-Asp and reduced the accumulation of the corresponding Asp-conjugate upon treatment with a synthetic auxin. AIEP therefore represents a novel chemical probe with which to study IAA-amido synthetase function.

  16. Poly(Amido Amine)s Containing Agmatine and Butanol Side Chains as Efficient Gene Carriers.

    Science.gov (United States)

    Won, Young-Wook; Ankoné, Marc; Engbersen, Johan F J; Feijen, Jan; Kim, Sung Wan

    2016-04-01

    A new type of bioreducible poly(amido amine) copolymer is synthesized by the Michael addition polymerization of cystamine bisacrylamide (CBA) with 4-aminobutylguanidine (agmatine, AGM) and 4-aminobutanol (ABOL). Since the positively charged guanidinium groups of AGM and the hydroxybutyl groups of ABOL in the side chains have shown to improve the overall transfection efficiency of poly(amido amine)s, it is hypothesized that poly(CBA-ABOL/AGM) synthesized at the optimal ratio of both components would result in high transfection efficiency and minimal toxicity. In this study, a series of the poly(CBA-ABOL/AGM) copolymers is synthesized as gene carriers. The polymers are characterized and luciferase transfection efficiencies of the polymers in various cell lines are investigated to select the ideal ratio between AGM and ABOL. The poly(CBA-ABOL/AGM) containing 80% AGM and 20% ABOL has shown the best transfection efficiency with the lowest cytotoxicity, indicating that this polymer is very promising as a potent and nontoxic gene carrier. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Estudo comparativo de amidos termoplásticos derivados do milho com diferentes teores de amilose Comparative studies of corn thermoplastic starches with different amylose content

    Directory of Open Access Journals (Sweden)

    Elisângela Corradini

    2005-11-01

    Full Text Available Amidos de milho contendo aproximadamente 72 e 100 % de amilopectina foram convertidos em amidos termoplásticos por processamento em um misturador intensivo a 160 ºC, usando glicerol como plastificante. Os amidos termoplásticos foram condicionados em ambiente de 53 ± 2% u.r. e caracterizados por medidas de absorção de água, difração de raios X, ensaios mecânicos de tração e por análises dinâmico mecânicas (DMA. O amido com menor teor de amilopectina apresentou maior viscosidade durante o processamento, que foi atribuída à estrutura da amilose. Os amidos termoplásticos TPS1 (72% de amilopectina e TPS2 (100% de amilopectina não mostraram diferenças apreciáveis nas propriedades de absorção de água. Após duas semanas de armazenamento, o TPS1 apresentou estrutura semicristalina, enquanto o TPS2 apresentou estrutura totalmente amorfa. Após seis semanas ocorreu um aumento da cristalinidade do TPS1 e ocorreu a formação de estruturas cristalinas no TPS2. As propriedades mecânicas e dinâmico-mecânicas foram afetadas pela cristalinidade do amido que é função da razão amilose/amilopectina.Corn starches with approximately 72% and 100 % of amylopectin were processed in an intensive mixer connected to a torque rheometer in the presence of glycerol (plasticizer at 160ºC. The thermoplastic starches were conditioned at 53 ± 2% of relative humidity for two weeks and characterized by X-ray diffraction, tensile test and dynamical mechanical analysis (DMA. The starch with lower amylopectin content presented higher viscosity during the processing which was attributed to linear amylose chains. The thermoplastic starches TPS1 (72% of amylopectin and TPS2 (100% of amylopectin did not display significant differences in water absorption. After two weeks of aging, TPS1 exhibited semicrystalline structure, whereas TPS2 presented a amorphous structure. After six weeks, the crystallinity of TPS1 increased and some crystalline behavior could

  18. Tracking ultrafast relaxation dynamics of furan by femtosecond photoelectron imaging

    International Nuclear Information System (INIS)

    Liu, Yuzhu; Knopp, Gregor; Qin, Chaochao; Gerber, Thomas

    2015-01-01

    Graphical abstract: - Highlights: • Relaxation dynamics of furan are tracked by femtosecond photoelectron imaging. • The mechanism for ultrafast formation of α-carbene and β-carbene is proposed. • Ultrafast internal conversion from S 2 to S 1 is observed. • The transient characteristics of the fragment ions are obtained. • Single-color multi-photon ionization dynamics at 800 nm are also studied. - Abstract: Ultrafast internal conversion dynamics of furan has been studied by femtosecond photoelectron imaging (PEI) coupled with photofragmentation (PF) spectroscopy. Photoelectron imaging of single-color multi-photon ionization and two-color pump–probe ionization are obtained and analyzed. Photoelectron bands are assigned to the related states. The time evolution of the photoelectron signal by pump–probe ionization can be well described by a biexponential decay: two rapid relaxation pathways with time constants of ∼15 fs and 85 (±11) fs. The rapid relaxation is ascribed to the ultrafast internal conversion (IC) from the S 2 state to the vibrationally hot S 1 state. The second relaxation process is attributed to the redistributions and depopulation of secondarily populated high vibronic S 1 state and the formation of α-carbene and β-carbene by H immigration. Additionally, the transient characteristics of the fragment ions are also measured and discussed as a complementary understanding

  19. Furan Levels and Sensory Profiles of Commercial Coffee Products Under Various Handling Conditions.

    Science.gov (United States)

    Han, Jeesoo; Kim, Mina K; Lee, Kwang-Geun

    2017-11-01

    In this study, the levels of furan in coffee with consideration towards common coffee consumption was investigated. The concentration of furan in brewed coffee was the highest among the coffee types studied, with an average of 110.73 ng/mL, followed by canned coffee (28.08 ng/mL) and instant coffee (8.55 ng/mL). In instant and brewed coffee, the furan levels decreased by up to an average of 20% and 22%, after 5 min of pouring in a cup without a lid. The degree of reduction was greater when coffee was served without a lid, regardless of coffee type (P coffee, the level of furan decreased by an average of 14% after storage at 60 °C without a lid, and the degree of furan reduction in coffee was greater in coffee served warm (60 °C) than in coffee served cold (4 °C). A time-dependent intensities of sensory attributes in commercial coffees with various handling condition were different (P coffee kept in a cup with lid closed, holds the aroma of coffee longer than coffee in a cup without a lid. Consumption of coffee has increased rapidly in Korea over the past few years. Consequently, the probability of exposure to chemical hazards presence in coffee products increases. Furan is a heterocyclic compound, formed mainly from Maillard reaction, therefore present in coffee products. This work demonstrated the strategy to reduce the levels of furan in coffee products at individual consumer level, by investigating the levels of furan served in common handling scenarios of coffee in Korea: canned coffee, instant coffee, and brewed coffee. Findings of this study can practically guide industry, government, and consumer agencies to reduce the risk exposure to furan during coffee consumptions. © 2017 Institute of Food Technologists®.

  20. Thermoplastic-thermosetting merged polyimides via furan-maleimide Diels–Alder polymerization

    Directory of Open Access Journals (Sweden)

    Yogesh S. Patel

    2017-02-01

    Full Text Available Novel thermoplastic-thermosetting merged polyimide system has been developed via Diels–Alder intermolecular polymerization of bisfuran namely, 2,5-bis(furan-2-ylmethylcarbamoyl terephthalic acid A with a series of bismaleimides B1–4. Thus obtained intermediate Diels–Alder adducts C1–4 were aromatized and imidized (i.e. cyclized through carboxylic and amide groups to afford thermoplastic-thermosetting merged polyimides D1–4. Bisfuran A was prepared by the condensation of pyromellitic dianhydride with furan-2-ylmethanamine and characterized by elemental, spectral, thermal and LCMS analyses. Synthesized Diels–Alder adducts C1–4 and polyimides D1–4 were characterized by elemental analysis, spectral features, number average molecular weight (Mn‾, degree of polymerization (DP and thermal analysis. To facilitate the correct structural assessment and to be able to verify the occurrence of the DA adducts and PIs, a model compound 4 was prepared from phthalic anhydride and furan-2-ylmethanamine in a similar way. FTIR spectral features of polyimides D1–4 were compared with model compound 4 and they were found to be quite identical. The ‘in situ' void-free glass fiber reinforced composites GFRC1–4 were prepared from the produced system and characterized by chemical, mechanical and electrical analyses. All the composites showed good mechanical, electrical and thermal properties and good resistance to organic solvents and mineral acids.

  1. Direct decarbonylation of furfural to furan: A density functional theory study on Pt-graphene

    Science.gov (United States)

    Fellah, Mehmet Ferdi

    2017-05-01

    The catalytic mechanism of direct decarbonylation of furfural to furan on Pt graphene surface has been investigated by means of density functional theory (DFT) calculations. The main catalytic mechanism proposed in this study has six steps such as furfural adsorption, dissociation of H from adsorbed furfural, dissociation of carbon monoxide (molecularly) from adsorbed complex, furan formation and desorption of products. It has been concluded that the rate determining step for direct decarbonylation of furfural to furan is furan formation step and global activation barrier for this catalytic system is 82 kJ/mol consisting of zero point energy and thermal energy corrections. Pt-graphene structure has an important role on the catalytic decarbonylation of furfural to furan without any other reactants. This accordingly points out that Pt doped graphene structure might be an encouraging catalyst for direct decarbonylation of furfural to furan molecule as a valuable chemical material.

  2. Full Solar Spectrum Light Driven Thermocatalysis with Extremely High Efficiency on Nanostructured Ce Ion Substituted OMS-2 Catalyst for VOCs Purification

    DEFF Research Database (Denmark)

    Hou, J.T.; Li, Y.Z.; Mao, M.Y.

    2015-01-01

    solar spectrum, visible-infrared, and infrared light, the Ce ion substituted OMS-2 catalyst exhibits extremely high catalytic activity and excellent durability for the oxidation of volatile organic pollutants such as benzene, toluene, and acetone. Based on the experimental evidence, we propose a novel...... in a considerable increase of temperature. By combining the efficient photothermal conversion and thermocatalytic activity of the Ce ion substituted OMS-2 catalyst, we carried out full solar spectrum, visible-infrared, and infrared light driven catalysis with extremely high efficiency. Under the irradiation of full...... mechanism of solar light driven thermocatalysis for the Ce ion substituted OMS-2 catalyst. The reason why the Ce ion substituted OMS-2 catalyst exhibits much higher catalytic activity than pure OMS-2 and CeO2/OMS-2 nano composite under the full solar spectrum irradiation is discussed....

  3. Reducible poly(amido ethylenimine)s designed for triggered intracellular gene delivery

    NARCIS (Netherlands)

    Christensen, Lane V.; Christensen, L.; Chang, Chien-Wen; Kim, Won Jong; Kim, Sung Wan; Zhong, Zhiyuan; Lin, C.; Engbersen, Johannes F.J.; Feijen, Jan

    2006-01-01

    Poly(amido ethylenimine) polymers, a new type of peptidomimetic polymer, containing multiple disulfide bonds (SS-PAEIs) designed to degrade after delivery of plasmid DNA (pDNA) into the cell were synthesized and investigated as new carriers for triggered intracellular gene delivery. More

  4. Occurrence of furan in coffee from Spanish market: Contribution of brewing and roasting.

    Science.gov (United States)

    Altaki, M S; Santos, F J; Galceran, M T

    2011-06-15

    In this work, we evaluated the occurrence of furan in brews obtained from regular, decaffeinated, and instant coffee and commercial packed capsules. For this purpose, a previously developed automated headspace solid-phase microextraction method coupled to gas chromatography-mass spectrometry (HS-SPME-GC-MS) was used. Initially, the influence of HS-SPME conditions on furan formation was evaluated. In addition, the effect of roasting conditions (temperature and time) used for coffee beans on furan formation was also studied. We found that low temperature and long roasting time (140°C and 20min) decreases the final furan content. Furan concentrations in regular ground coffee brews from an espresso coffee machine were higher (43-146ng/ml) than those obtained from a home drip coffee maker (20 and 78ng/ml), while decaffeinated coffee brews from a home drip coffee maker (14-65ng/ml) showed a furan concentration similar to that obtained from regular coffee. Relatively low concentrations of this compound (12-35ng/ml) were found in instant coffee brews, while commercial packed coffee capsules showed the highest concentrations (117-244ng/ml). Finally, the daily intake of furan through coffee consumption in Barcelona (Spain) (0.03-0.38μg/kg of body weight) was estimated. Copyright © 2010 Elsevier Ltd. All rights reserved.

  5. AMIDO E HIPOCLORITO DE SÓDIO NO ENRAIZAMENTO IN VITRO DO ABACAXIZEIRO ‘GOLD’ E SEUS EFEITOS NA ACLIMATIZAÇÃO

    Directory of Open Access Journals (Sweden)

    RODRIGO DA SILVA OLIVEIRA

    2015-06-01

    Full Text Available Este trabalho teve como objetivo avaliar a substituição total ou parcial do ágar por amidos de milho e mandioca e da esterilizaçãofísica em autoclave pela esterilização química com hipoclorito de sódio (NaClO no desenvolvimento de mudas deabacaxizeiro ‘Gold’ (Ananas comosus. Como agentes geleificantes,foram utilizados: M1: ágar (6,0 g L-1;M2: amido de milho (60,0 g L-1; M3: ágar (3,0 g L-1 + amido de milho (30,0 g L-1, e M4: ágar (3,0 g L-1 + amido de mandioca (30,0 g L-1. As esterilizações foram feitas por meio da autoclavagem a 121°C e da utilização de soluções de NaClO nas concentrações de 0,003% para o enxágue das vidrarias e 0,0003% para adição ao meio de cultivo. Após um mês de cultivo in vitro, não houve influência negativa do NaClO e dos agentes geleificantes no enraizamento das brotações para a maioria dos parâmetros avaliados. As mudas produzidas in vitro foram levadas para aclimatização em casa de vegetação, por 90 dias. Na aclimatização, as mudas oriundas dos tratamentos com esterilização química não diferiram das oriundas dos meios autoclavados em nenhum parâmetro avaliado, enquanto a combinação ágar + amido de milho proporcionou resultados inferiores entre os agentes geleificantes.

  6. C–H arylation of unsubstituted furan and thiophene with acceptor bromides: access to donor–acceptor–donor-type building blocks for organic electronics.

    Science.gov (United States)

    Matsidik, Rukiya; Martin, Johannes; Schmidt, Simon; Obermayer, Johannes; Lombeck, Florian; Nübling, Fritz; Komber, Hartmut; Fazzi, Daniele; Sommer, Michael

    2015-01-16

    Pd-catalyzed direct arylation (DA) reaction conditions have been established for unsubstituted furan (Fu) and thiophene (Th) with three popular acceptor building blocks to be used in materials for organic electronics, namely 4,7-dibromo-2,1,3-benzothiadiazole (BTBr2), N,N′-dialkylated 2,6-dibromonaphthalene-1,4,5,8-bis(dicarboximide) (NDIBr2), and 1,4-dibromotetrafluorobenzene (F4Br2). Reactions with BTBr2, F4Br2, and NDIBr2 require different solvents to obtain high yields. The use of dimethylacetamide (DMAc) is essential for the successful coupling of BTBr2 and F4Br2, but detrimental for NDIBr2, as the electron-deficient NDI core is prone to nucleophilic core substitution in DMAc as solvent but not in toluene. NDIFu2 is much more planar compared to NDITh2, resulting in an enhanced charge-transfer character, which makes it an interesting building block for conjugated systems designed for organic electronics. This study highlights direct arylation as a simple and inexpensive method to construct a series of important donor–acceptor–donor building blocks to be further used for the preparation of a variety of conjugated materials.

  7. Gold-Catalyzed Cyclization of Furan-Ynes bearing a Propargyl Carbonate Group: Intramolecular Diels-Alder Reaction with In Situ Generated Allenes.

    Science.gov (United States)

    Sun, Ning; Xie, Xin; Chen, Haoyi; Liu, Yuanhong

    2016-09-26

    Gold-catalyzed cyclization of various furan-ynes with a propargyl carbonate or ester moiety results in the formation of a series of polycyclic aromatic ring systems. The reactions can be rationalized through a tandem gold-catalyzed 3,3-rearrangement of the propargyl carboxylate moiety in furan-yne substrates to form an allenic intermediate, which is followed by an intramolecular Diels-Alder reaction of furan and subsequent ring-opening of the oxa-bridged cycloadduct. It was found that the steric and electronic properties of phosphine ligands on the gold catalyst had a significant impact on the reaction outcome. In the case of 1,5-furan-yne, the cleavage of the oxa-bridge in the cycloadduct with concomitant 1,2-migration of the R(1) group occurs to furnish anthracen-1(2H)-ones bearing a quaternary carbon center. For 1,4-furan-yne, a facile aromatization of the cycloadduct takes place to give 9-oxygenated anthracene derivatives. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. The future of furanics : new generations of biofuel

    Energy Technology Data Exchange (ETDEWEB)

    Granson, E.

    2010-01-15

    This article discussed a new technology developed to bypass steps in the ethanol production process. The method does not require any enzymes and can be used to process biomass, agricultural biomass, and mixed sources biomass. A mechanical reduction process was used to reduce the feedstock into particles. The powdered feedstock was then fed into a 2-phase reactor. The first phase used aqueous hydrochloric acid to digest the feedstock into furanic products. The second phase of the reactor contained an organic solvent used to sequester the feedstock out of the acid phase in order to prevent it from decomposing. Raw biomass was converted into the chemical intermediate 5-(chloromethyl)furfural (CMF). The furanic process produced a higher yield of simple organic molecules from the biomass than other known methods. The CMF was then converted into a new generation biofuel using a conventional ethanol method. It was concluded that the technology can be used by smaller producers using local feedstock sources. Various furfural research projects were also discussed. 2 figs.

  9. Synthesis by plasma of furan particulate polymers

    International Nuclear Information System (INIS)

    Zuniga L, R.

    2014-01-01

    This work presents the synthesis of particles derived from furan using low energy plasmas. It is based in the hypothesis that the intense crosslinking of heterocyclic monomers may produce curved surfaces depending on the applied energy in the synthesis. There have been few works related with the synthesis of poly furan as films, but none with morphology of particles within nano or meso dimensions. The syntheses were carried out in a cylindrical reactor at low pressure in gas phase with resistive glow discharges between two electrodes with energy varying from 20 to 120 W. The characterization of the particles was carried out with Energy Dispersive Spectroscopy (EDS), Infrared Spectroscopy (IR), Scanning Electron Microscopy (Sem), Transmission Electron Microscopy (Tem) and X-Ray Photoelectron Spectroscopy (XP S). The morphological studies of the particles were carried out with Sem and Tem showing that the poly furan particles are spherical with a smooth surface and with internal homogeneous composition. They were formed in agglomerates and/or individually with diameters between 214 and 745 nm. The average diameter and the variation of size were reduced by increasing of the applied energy to the synthesis. The structural analysis made by IR and XP S indicates that the poly furan particles have a low content of C-H groups, probably from the monomer, and new multiple bonds such as C=O and C≡C, which suggests dehydrogenation and fragmentation of some furan rings during the synthesis to form crosslinked polymers in combination with other fragments. The energy distribution of C1s orbitals in the particles were adjusted to 5 chemical states at low synthesis energy, 20-60 W, and at higher energy, 80-120 W, another chemical state appeared related to triple bonds, product of a higher oxidation. The hydrogenation in the particles was calculated between 35% and 50%. The energy distribution of O1s orbitals was adjusted to 3 curves, belonging to C-O-H, C-O-C and C=O chemical

  10. Effects of dicarbonyl trapping agents, antioxidants, and reducing agents on the formation of furan and other volatile components in canned-coffee model systems.

    Science.gov (United States)

    Zheng, Li Wei; Chung, Hyun; Kim, Young-Suk

    2015-09-01

    The formation of furan and certain volatiles related to furan formation mechanisms was studied using gas chromatography-mass spectrometry combined with solid-phase micro extraction after adding dicarbonyl trapping agents [epicatechin (EC), epigallocatechin gallate (EGCG), and catechin], water-soluble antioxidants (Trolox, caffeic acid, ferulic acid, and chlorogenic acid), fat-soluble antioxidants (α-tocopherol, BHT, and β-carotene), and reducing agents (glutathione and sodium sulfite) to canned-coffee model systems (CMS). The level of furan formation decreased significantly following the addition of EC (by 65.3%), EGCG (by 60.0%), and catechin (by 44.7%). In addition, the formation of Maillard reaction products, including furan derivatives (furfural and 5-methylfurfural), Strecker aldehyde (2-methylbutanal), pyrazines (2,6-dimethylpyrazine), and lipid oxidation products (including hexanal and 2-pentylfuran) was suppressed when any of the dicarbonyl trapping agents was added. Among the water-soluble antioxidants studied, chlorogenic acid most significantly decreased the furan level, by 67.0%, followed by ferulic acid (57.6%), Trolox (50.1%), and caffeic acid (48.2%) in the CMS. Chlorogenic acid also reduced the formation of furfural and lipid oxidation products. However, the addition of caffeic acid, ferulic acid, and chlorogenic acid decreased the generation of key coffee aroma components, such as Strecker aldehydes (2-methylpropanal and 2-methylbutanal), 5-methylfurfural, and pyrazines (2,6-dimethylpyrazine and 2-ethyl-5-methylpyrazine). Among the fat-soluble antioxidants, BHT and α-tocopherol decreased the furan level by 49.3% and 39.3%, respectively, while β-carotene increased the furan level by 34.8%. The addition of sodium sulfite and glutathione to CMS also led to considerable reductions in furan, of 64.1% and 44.9%, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Case study on the utility of hepatic global gene expression profiling in the risk assessment of the carcinogen furan

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, Anna Francina, E-mail: Francina.Jackson@hc-sc.gc.ca [Environmental Health Science and Research Bureau, Health Canada, Ottawa K1A 0K9 (Canada); Department of Biology, Carleton University, 1125 Colonel By Drive, Ottawa K1S 5B6 (Canada); Williams, Andrew, E-mail: Andrew.Williams@hc-sc.gc.ca [Environmental Health Science and Research Bureau, Health Canada, Ottawa K1A 0K9 (Canada); Recio, Leslie, E-mail: lrecio@ils-inc.com [ILS, Inc., P.O. Box 13501, Research Triangle Park, NC 27709 (United States); Waters, Michael D., E-mail: mwaters@ils-inc.com [ILS, Inc., P.O. Box 13501, Research Triangle Park, NC 27709 (United States); Lambert, Iain B., E-mail: Iain.Lambert@carleton.ca [Department of Biology, Carleton University, 1125 Colonel By Drive, Ottawa K1S 5B6 (Canada); Yauk, Carole L., E-mail: Carole.Yauk@hc-sc.gc.ca [Environmental Health Science and Research Bureau, Health Canada, Ottawa K1A 0K9 (Canada)

    2014-01-01

    Furan is a chemical hepatocarcinogen in mice and rats. Its previously postulated cancer mode of action (MOA) is chronic cytotoxicity followed by sustained regenerative proliferation; however, its molecular basis is unknown. To this end, we conducted toxicogenomic analysis of B3C6F1 mouse livers following three week exposures to non-carcinogenic (0, 1, 2 mg/kg bw) or carcinogenic (4 and 8 mg/kg bw) doses of furan. We saw enrichment for pathways responsible for cytotoxicity: stress-activated protein kinase (SAPK) and death receptor (DR5 and TNF-alpha) signaling, and proliferation: extracellular signal-regulated kinases (ERKs) and TNF-alpha. We also noted the involvement of NF-kappaB and c-Jun in response to furan, which are genes that are known to be required for liver regeneration. Furan metabolism by CYP2E1 produces cis-2-butene-1,4-dial (BDA), which is required for ensuing cytotoxicity and oxidative stress. NRF2 is a master regulator of gene expression during oxidative stress and we suggest that chronic NFR2 activity and chronic inflammation may represent critical transition events between the adaptive (regeneration) and adverse (cancer) outcomes. Another objective of this study was to demonstrate the applicability of toxicogenomics data in quantitative risk assessment. We modeled benchmark doses for our transcriptional data and previously published cancer data, and observed consistency between the two. Margin of exposure values for both transcriptional and cancer endpoints were also similar. In conclusion, using furan as a case study we have demonstrated the value of toxicogenomics data in elucidating dose-dependent MOA transitions and in quantitative risk assessment. - Highlights: • Global gene expression changes in furan-exposed mouse livers were analyzed. • A molecular mode of action for furan-induced hepatocarcinogenesis is proposed. • Key pathways include NRF2, SAPK, ERK and death receptor signaling. • Important roles for TNF-alpha, c-Jun, and NF

  12. Case study on the utility of hepatic global gene expression profiling in the risk assessment of the carcinogen furan

    International Nuclear Information System (INIS)

    Jackson, Anna Francina; Williams, Andrew; Recio, Leslie; Waters, Michael D.; Lambert, Iain B.; Yauk, Carole L.

    2014-01-01

    Furan is a chemical hepatocarcinogen in mice and rats. Its previously postulated cancer mode of action (MOA) is chronic cytotoxicity followed by sustained regenerative proliferation; however, its molecular basis is unknown. To this end, we conducted toxicogenomic analysis of B3C6F1 mouse livers following three week exposures to non-carcinogenic (0, 1, 2 mg/kg bw) or carcinogenic (4 and 8 mg/kg bw) doses of furan. We saw enrichment for pathways responsible for cytotoxicity: stress-activated protein kinase (SAPK) and death receptor (DR5 and TNF-alpha) signaling, and proliferation: extracellular signal-regulated kinases (ERKs) and TNF-alpha. We also noted the involvement of NF-kappaB and c-Jun in response to furan, which are genes that are known to be required for liver regeneration. Furan metabolism by CYP2E1 produces cis-2-butene-1,4-dial (BDA), which is required for ensuing cytotoxicity and oxidative stress. NRF2 is a master regulator of gene expression during oxidative stress and we suggest that chronic NFR2 activity and chronic inflammation may represent critical transition events between the adaptive (regeneration) and adverse (cancer) outcomes. Another objective of this study was to demonstrate the applicability of toxicogenomics data in quantitative risk assessment. We modeled benchmark doses for our transcriptional data and previously published cancer data, and observed consistency between the two. Margin of exposure values for both transcriptional and cancer endpoints were also similar. In conclusion, using furan as a case study we have demonstrated the value of toxicogenomics data in elucidating dose-dependent MOA transitions and in quantitative risk assessment. - Highlights: • Global gene expression changes in furan-exposed mouse livers were analyzed. • A molecular mode of action for furan-induced hepatocarcinogenesis is proposed. • Key pathways include NRF2, SAPK, ERK and death receptor signaling. • Important roles for TNF-alpha, c-Jun, and NF

  13. High-temperature resistivity and thermoelectric properties of coupled substituted Ca3Co2O6

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    Meenakshisundaram Senthilkumar and Rajagopalan Vijayaraghavan

    2009-01-01

    Full Text Available Polycrystalline samples of Ca3−xNaxCo2−xMnxO6 (x=0.0–0.5 have been prepared by the sol-gel cum combustion method using sucrose in order to investigate the effects of the coupled substitution of Na and Mn on Ca and Co sites on the transport properties of Ca3Co2O6(Co326. The products were characterized by Fourier transform infrared spectroscopy, powder x-ray diffraction (XRD, thermogravimetry (TGA, differential thermal analysis and scanning electron microscopy. XRD patterns reveal the formation of single-phase products up to x=0.5. Coupled substitution increases the solubility of both Na and Mn on Ca and Co sites, respectively, in contrast to the limited solubility of Na and Mn (x=0.2 when separately substituted. TGA confirms the formation of the Ca3Co2O6 phase at temperatures ~720 °C. The grain size of the parent and substituted products is in the range 150–250 nm. Electrical resistivity and Seebeck coefficient were measured in the temperature range 300–800 K. Resistivity shows semiconducting behavior for all the compositions, particularly in the low-temperature regime. The Seebeck coefficient increases with temperature throughout the measured temperature range for all compositions. The maximum Seebeck coefficient (200 μV K−1 is observed for x=0.5 at 825 K, and this composition may be optimal for high-temperature thermoelectric applications.

  14. AMIDO DE BATATA DOCE (Ipomoea batatas L, Lam: II – CARACTERIZAÇÃO MORFOLÓGICA E ESTUDO DE ALGUMAS PROPRIEDADES FUNCIONAIS

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    José Paschoal BATISTUTI

    2009-07-01

    Full Text Available

    RESUMO: O objetivo deste trabalho foi caracterizar morfologicamente e estudar a relação estrutura: função do grânulo de amido extraído de tubérculos, de diferentes cultivares de batata-doce (Ipomoea batatas L, Lam. Nas condições do experimento e mediante os resultados obtidos, observou-se que o amido dos diferentes cultivares estudados mostrou diferenças acentuadas na sua morfologia. Foram observadas, também, diferenças nas propriedades viscoamilográficas, devidas particularmente à heterogeneidade de forças envolvidas na manutenção da estrutura do grânulo. O amido obtido, dos cultivares estudados, mostrou maior resistência à desintegração mecânica, durante a gelatinização, quando comparado aos padrões comerciais testados. Apenas um cultivar mostrou pico de viscosidade máxima. PALAVRAS-CHAVE: Batata-doce; amido; funcionalidade; morfologia.

  15. Cobalt(II), nickel(II), copper(II), zinc(II) and hafnium(IV) complexes of N'-(furan-3-ylmethylene)-2-(4-methoxyphenylamino)acetohydrazide.

    Science.gov (United States)

    Emam, Sanaa M; El-Saied, Fathy A; Abou El-Enein, Saeyda A; El-Shater, Heba A

    2009-03-01

    Cobalt(II), nickel(II), copper(II), zinc(II) and hafnium(IV) complexes of furan-2-carbaldehyde 4-methoxy-N-anilinoacetohydrazone were synthesized and characterized by elemental and thermal (TG and DTA) analyses, IR, UV-vis and (1)H NMR spectra as well as magnetic moment and molar conductivity. Mononuclear complexes are obtained with 1:1 molar ratio except complexes 3 and 9 which are obtained with 1:2 molar ratios. The IR spectra of ligand and metal complexes reveal various modes of chelation. The ligand behaves as a neutral bidentate one and coordination occurs via the carbonyl oxygen atom and azomethine nitrogen atom. The ligand behaves also as a monobasic tridentate one and coordination occurs through the enolic oxygen atom, azomethine nitrogen atom and the oxygen atom of furan ring. Moreover, the ligand behaves as a neutral tridentate and coordination occurs via the carbonyl oxygen, azomethine nitrogen and furan oxygen atoms as well as a monobasic bidentate and coordination occurs via the enolic oxygen atom and azomethine nitrogen atom. The electronic spectra and magnetic moment measurements reveal that all complexes possess octahedral geometry except the copper complex 10 possesses a square planar geometry. The thermal studies showed the type of water molecules involved in metal complexes as well as the thermal decomposition of some metal complexes.

  16. Tracking ultrafast relaxation dynamics of furan by femtosecond photoelectron imaging

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuzhu, E-mail: yuzhu.liu@gmail.com [School of Physics and Optoelectronic Engineering, Nanjing University of Information Science and Technology, Nanjing 210044 (China); Knopp, Gregor [Paul Scherrer Institute, Villigen 5232 (Switzerland); Qin, Chaochao [Department of Physics, Henan Normal University, Xinxiang 453007 (China); Gerber, Thomas [Paul Scherrer Institute, Villigen 5232 (Switzerland)

    2015-01-13

    Graphical abstract: - Highlights: • Relaxation dynamics of furan are tracked by femtosecond photoelectron imaging. • The mechanism for ultrafast formation of α-carbene and β-carbene is proposed. • Ultrafast internal conversion from S{sub 2} to S{sub 1} is observed. • The transient characteristics of the fragment ions are obtained. • Single-color multi-photon ionization dynamics at 800 nm are also studied. - Abstract: Ultrafast internal conversion dynamics of furan has been studied by femtosecond photoelectron imaging (PEI) coupled with photofragmentation (PF) spectroscopy. Photoelectron imaging of single-color multi-photon ionization and two-color pump–probe ionization are obtained and analyzed. Photoelectron bands are assigned to the related states. The time evolution of the photoelectron signal by pump–probe ionization can be well described by a biexponential decay: two rapid relaxation pathways with time constants of ∼15 fs and 85 (±11) fs. The rapid relaxation is ascribed to the ultrafast internal conversion (IC) from the S{sub 2} state to the vibrationally hot S{sub 1} state. The second relaxation process is attributed to the redistributions and depopulation of secondarily populated high vibronic S{sub 1} state and the formation of α-carbene and β-carbene by H immigration. Additionally, the transient characteristics of the fragment ions are also measured and discussed as a complementary understanding.

  17. Desenvolvimento de nanocompósitos à base de amido de batata

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    Luciana Macedo Brito

    2013-01-01

    Full Text Available Nanocompósitos de amido de batata foram preparados pelo método de intercalação por solução, com a adição de argilas montmorilonita: organicamente modificada (Viscogel B8 e não modificada argila sódica (NT25 e de sílicas: modificada (R972 e não modificada (A200. Os nanocompósitos foram caracterizados pelas técnicas convencionais de difratometria de raios X e análise termogravimétrica. Foram caracterizados também por uma técnica denominada como não convencional, a ressonância magnética nuclear (RMN de baixo campo, que é alternativa e efetiva na caracterização de nanocompósitos. Com ela, pode-se investigar a dispersão das nanocargas pelo grau de intercalação e/ou esfoliação, além de verificar a distribuição e modificações da mobilidade molecular da matriz polimérica. Os materiais nanoestruturados obtidos com as argilas apresentaram boa dispersão e formação de nanomateriais mistos, com diferentes graus de intercalação e esfoliação. Ao adicionar as sílicas na matriz de amido pode-se observar uma diminuição da mobilidade do material, este efeito foi observado para ambas às sílicas utilizadas. Utilizando a técnica de TGA verificou-se um ligeiro aumento na estabilidade térmica do material produzido em relação ao amido.

  18. Lycopene Protects the Diabetic Rat Kidney Against Oxidative Stress-mediated Oxidative Damage Induced by Furan

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    Dilek Pandir

    2016-01-01

    Full Text Available Furan is a food and environmental contaminant and a potent carcinogen in animals. Lycopene is one dietary carotenoid found in fruits such as tomato, watermelon and grapefruit. The present study was designed to explore the protective effect of lycopene against furan-induced oxidative damage in streptozotocin (STZ-induced diabetic rat kidney. At the end of the experimental period (28 days, we found that lycopene markedly decreased the malondialdehide (MDA levels in the kidney, urea, uric acid and creatinine levels in the serum of furan-treated rats. The increase of histopathology in the kidney of furan-treated rats were effectively suppressed by lycopene. Furthermore, lycopene markedly restored superoxide dismutase (SOD, catalase (CAT, glutathione peroxidase (GPx and glutathione-S-transferase (GST activities in the kidney of furan-treated rats. In conclusion, these results suggested that lycopene could protect the rat kidney against furan-induced injury by improving renal function, attenuating histopathologic changes, reducing MDA production and renewing the activities of antioxidant enzymes.

  19. Development of a Passive Multisampling Method to Measure Dioxins/Furans and Other Contaminant Bioavailability in Aquatic Sediments

    Science.gov (United States)

    2016-11-01

    FINAL REPORT Development of a Passive Multisampling Method to Measure Dioxins/Furans and Other Contaminant Bioavailability in Aquatic...passive multisampling method to measure Dioxins/Furans 5a. CONTRACT NUMBER and other contaminant bioavailability in aquatic sediments...This also indicates the bioavailability or pressure (fugacity) of contaminants on organisms2 and consequently represents the exposure level for

  20. Catalytic Conversion of Carbohydrates to Furanic Derivatives in the Presence of Choline Chloride

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    François Jérôme

    2017-07-01

    Full Text Available The synthesis of furanic derivatives (5-hydroxymethylfurfural (HMF, furfural… from carbohydrates is of high interest for a wide range of applications. These reactions are carried out in the presence of various solvents, and among them choline chloride can be used. It is a salt that can form a low melting mixture with a carbohydrate (fructose, glucose… or a deep eutectic mixture with carboxylic acid. A review of the studies performed in the conversion of carbohydrates to furanic derivatives in the presence of choline chloride is presented here with the advantages and drawbacks of this solvent. Choline chloride can enhance the selectivity to HMF by stabilizing effect and allows the conversion of highly concentrated feed. However, the extraction of the products from these solvents still needs improvement.

  1. Poly(2-vinyl pyridine)-block-poly(ethylene oxide) featuring a furan group at the block junction-synthesis and functionalization.

    Science.gov (United States)

    Rudolph, Tobias; Barthel, Markus J; Kretschmer, Florian; Mansfeld, Ulrich; Hoeppener, Stephanie; Hager, Martin D; Schubert, Ulrich S; Schacher, Felix H

    2014-05-01

    Furfuryl glycidyl ether (FGE) represents a highly versatile monomer for the preparation of reversibly cross-linkable nanostructured materials via Diels-Alder reactions. Here, the use of FGE for the mid-chain functionalization of a P2VP-b-PEO diblock copolymer is reported. The material features one furan moiety at the block junction, P2VP68 -FGE-b-PEO390 , which can be subsequently addressed in Diels-Alder reactions using maleimide-functionalized counterparts. The presence of the FGE moiety enables the introduction of dyes as model labels or the formation of hetero-grafted brushes as shell on hybrid Au@Polymer nanoparticles. This renders P2VP68 -FGE-b-PEO390 , a powerful tool for selective functionalization reactions, including the modification of surfaces. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Furan induced ovarian damage in non-diabetic and diabetic rats and cellular protective role of lycopene.

    Science.gov (United States)

    Uçar, Semra; Pandir, Dilek

    2017-11-01

    In our work, furan, lycopene, and furan + lycopene treatments were applied to non-diabetic and diabetic female rats via gavage. Ovarian tissue alterations with histopathology, immunohistochemistry, malondialdehyde levels, oxidative stress parameters such as superoxide dismutase, catalase, glutathione peroxidase, glutathione-S-transferase and harmful effect on ovarian tissue DNA were evaluated in all groups for 28 days. Furan caused the changes histological, ovarian cell's DNA structure, malondialdehyde levels, antioxidant enzymes activities as in a statistically significant manner in each group. Useful effect of lycopene was determined both in non-diabetic and diabetic treatment groups against furan according to the used experimental parameters. Although some histopathological alterations were seen in diabetic and non-diabetic/diabetic plus furan-treated group's ovarians, lycopene restored these variations near to normal levels in furan + lycopene treated groups for in 28 days. Additionally, the results of our immunohistochemical analysis and alterations of the oxidative stress parameters results also supported these findings. Our result confirms that lycopene has protective effect and significantly altered diabetes and furan-induced toxicity in the rat ovarian tissue.

  3. Hydrate phase equilibria of furan, acetone, 1,4-dioxane, TBAC and TBAF

    International Nuclear Information System (INIS)

    Kamran-Pirzaman, Arash; Pahlavanzadeh, Hassan; Mohammadi, Amir H.

    2013-01-01

    Highlights: • Experimental hydrate dissociation conditions are reported for CO 2 /methane + some water soluble/insoluble hydrate formers. • An isochoric pressure-search method was used to generate the experimental data. • The data are compared with the corresponding literature data in the presence of pure water. • The hydrate promotion effects of acetone, 1,4-dioxane, furan, TBAC and TBAF are discussed. -- Abstract: In this communication, we first report experimental hydrate dissociation pressures for the methane/carbon dioxide + furan/acetone/1,4-dioxane + water and the methane + tetra n-butyl ammonium chloride (TBAC) + water as well as the carbon dioxide + tetra n-butyl ammonium floride (TBAF) + water systems in the temperature ranges of (269.9 to 303.3) K. An isochoric pressure-search method was used to generate the experimental data. The hydrate dissociation data are compared with the corresponding literature data, if exists, and the literature data in the presence of pure water and acceptable agreement is observed. A discussion is made on hydrate promotion effects of acetone, 1,4-dioxane, furan, TBAC and TBAF

  4. Effect of Furan Fatty Acids and 3-Methyl-2,4-nonanedione on Light-Induced Off-Odor in Soybean Oil.

    Science.gov (United States)

    Sano, Takashi; Okabe, Ryo; Iwahashi, Maiko; Imagi, Jun; Sato, Toshiro; Yamashita, Toshiyuki; Fukusaki, Eiichiro; Bamba, Takeshi

    2017-03-15

    Soybean oil is one of the most widely consumed vegetable oils. However, under photooxidative conditions, this oil develops a beany and green off-odor through a mechanism that has not yet been elucidated. Upon photooxidation, 3-methyl-2,4-nonanedione (3-MND) produces a strong aroma. In this study, the effect of furan fatty acids and 3-MND on odor reversion in soybean oil was investigated. Our findings suggest that the observed light-induced off-odor was likely attributable to the furan fatty acids present in the oil through the generation of 3-MND. While 3-MND may not be directly responsible for the development of light-induced off-odor, this compound appears to be involved because off-odor was detected in canola oil samples containing added 3-MND. In addition, in the present work, 3-hydroxy-3-methyl-2,4-nonanedione, which is derived from 3-MND, was identified for the first time in light-exposed soybean oil and shown to be one of the compounds responsible for odor reversion.

  5. Occurrence of furan in commercial processed foods in Brazil.

    Science.gov (United States)

    Arisseto, A P; Vicente, E; Furlani, R P Z; Ueno, M S; Pereira, A L D; Toledo, M C F

    2012-01-01

    Selected commercial processed foods available in the Brazilian market (306 samples) were analysed for furan content using a validated gas chromatography-mass spectrometry method preceded by headspace solid phase micro-extraction (HS-SPME-GC/MS). Canned and jarred foods, including vegetable, meat, fruit and sweet products, showed levels up to 32.8 µg kg⁻¹, with the highest concentrations observed in vegetables and meats. For coffee, furan content ranged from 253.0 to 5021.4 µg kg⁻¹ in the roasted ground coffee and from not detected to 156.6 µg kg⁻¹ in the beverage. For sauces, levels up to 138.1 µg kg⁻¹ were found. In cereal-based products, the highest concentrations (up to 191.3 µg kg⁻¹) were observed in breakfast cereal (corn flakes), cracker (cream crackers) and biscuit (wafer). In general, these results are comparable with those reported in other countries and will be useful for a preliminary estimate of the furan dietary intake in Brazil.

  6. MISTURAS DE FARINHA DE AVEIA E AMIDO DE MILHO COM ALTO TEOR DE AMILOPECTINA PARA PRODUÇÃO DE "SNACKS"

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    KARAM Laura Beatriz

    2001-01-01

    Full Text Available O potencial de uso do amido modificado com alto teor de amilopectina combinado à farinha de aveia para produção de "snacks" extrusados foi investigado. O processamento foi executado em extrusor mono-rosca, de acordo com um delienamento fatorial (2(5 incompleto, com 3 repetições no ponto central. As variáveis independentes controladas foram: umidade da matéria-prima, temperatura de extrusão, rotação do parafuso, diâmetro da matriz e teor de amido modificado. Como respostas, avaliou-se o volume específico, a dureza e a fraturabilidade. A partir da modelagem exploratória foram definidas as variáveis significativas e novos deslocamentos na área experimental, até se atingir o ponto ótimo para produção de "snacks". A melhor combinação de variáveis encontrada, para obter um produto com boas propriedades de expansão e de textura, foi: 17% de umidade de matéria-prima, 183°C de temperatura de extrusão, 100rpm de rotação do parafuso, 4mm de diâmetro da matriz e 30% de amido modificado. O produto obtido nessas condições apresentou 7,2mL/g de volume específico, 5,41N de dureza e 2,02N de fraturabilidade, assemelhando-se, por essas características, aos produtos comerciais de milho.

  7. Zn substitution NiFe_2O_4 nanoparticles with enhanced conductivity as high-performances electrodes for lithium ion batteries

    International Nuclear Information System (INIS)

    Mao, Junwei; Hou, Xianhua; Huang, Fengsi; Shen, Kaixiang; Lam, Kwok-ho; Ru, Qiang; Hu, Shejun

    2016-01-01

    Zn"2"+ ion substituted nickel ferrite nanomaterials with the chemical formula Ni_1_−_xZn_xFe_2O_4 for x = 0, 0.3, 0.5, 0.7 and 1 have been synthesized by a facile green-chemical hydrothermal method as anode materials in lithium ion battery. The morphology and structure of the samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The physical and electrochemical properties were tested by electrochemical system. Furthermore, the energetic and electronic properties of the samples were investigated by density functional calculations. The results suggest that Zn substitution can affect the conduction performance of the zinc - nickel ferrite. Meanwhile, electrochemical results show that an enhancement in the capacity with increasing Zn concentration is observed especially for x = 0.3 which exhibit high discharge capacity of 1416 mAh g"−"1at the end of 100th cycle. Moreover, the theoretical research method with high yield synthesis strategy described in the present work holds promise for the general fabrication of other metallic elements substitution in complex transition metal oxides for high power LIBs. - Highlights: • Ni_1_−_xZn_xFe_2O_4 anodes have been synthesized by hydrothermal method. • First principles calculation was used to investigate the conduction performance. • Electrochemical performance was enhanced with Zn substitution.

  8. Synthesis and structure-activity relationship studies of furan-ring fused chalcones as antiproliferative agents.

    Science.gov (United States)

    Saito, Yusuke; Kishimoto, Maho; Yoshizawa, Yuko; Kawaii, Satoru

    2015-02-01

    As part of our continuing investigation of flavonoid derivatives as potential anticancer substances, the synthesis of 25 cinnamoyl derivatives of benzofuran as furan-fused chalcones was carried-out and these compounds were further evaluated for their antiproliferative activity towards HL60 promyelocytic leukemia cells. In comparison with 2',4'-dihydroxychalcone, attachment of a furan moiety on the A-ring enhanced activity by more than twofold. Benzofurans may be useful in the design of biologically active flavonoids. Copyright© 2015 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

  9. Structural and spectral analyses of N,N'-(2,2'-dithiodi-o-phenylene)bis-(furan-2-carboxamide)

    Science.gov (United States)

    Yıldırım, Sema Öztürk; Büyükmumcu, Zeki; Pekdur, Özlem Savaş; Butcher, Ray J.; Doǧan, Şengül Dilem

    2018-02-01

    In this study we report structure determination of N,N'-(2,2'-dithiodi-o-phenylene)bis-(furan-2-carboxamide). 2,2'-Dithiobis(benzamide) derivatives have been reported to possess important biological properties such as antibacterial, antifungal activities and inhibition of blood platelet aggregation and redeterrmined at 100(2)K from the data published by Raftery, Lallbeeharry, Bhowon, Laulloo & Joulea [Acta Cryst. 2009, E65, o16]. 2,2'-Dithiobis(N-butyl-benzamide) has been reported to be useful as an antiseptic for cosmetics. The structural properties of the compound have been characterized by using 1H NMR and the structure were determined by single-crystal X-ray diffraction. Molecular structure crystallizes in triclinic form, space group with a = 9.6396(7) Å, b = 9.9115(7) Å, c = 12.0026(8) Å, α = 109.743(6)°, β = 103.653(6)°, γ = 104.633(6)° and V = 977.15(13) Å3. In the solid state of the molecular structure N-H…S, N-H…O and C-H…O, type interactions provide for stabilization. The geometries of the title compound have been optimized using density functional theory (DFT) method. The calculated values were found to be in agreement with the experimental data.

  10. ISOTERMAS E CALOR ISOSTÉRICO DE ADSORÇÃO DA ÁGUA DO AMIDO DE QUINOA

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    AUGUSTO PUMACAHUA RAMOS

    2017-07-01

    Full Text Available A quinoa possui mais de 60% de amido, sendo uma alternativa de extração e comercialização. Para isto é necessário conhecer o comportamento do amido frente à temperatura e umidade relativa do ar. O objetivo desta pesquisa foi avaliar as isotermas de adsorção do amido de quinoa em cinco temperaturas (20, 30, 40, 50 e 60ºC e dez atividades de água (0,036 a 0,907. Os pontos experimentais foram ajustados aos modelos matemáticos GAB, Oswin, Henderson, Peleg e Ferro-Foltan. Foram determinadas as energias de ativação da adsorção da água pelas constantes do modelo GAB e o calor isostérico pelo modelo de Peleg. As isotermas mostraram ser do tipo II na classificação de Brunauer. Os teores de água da monocamada (Xm determinados pelo modelo de GAB variaram de 7,90% a 10,38% base seca (b.s. para temperaturas de 60 e 20°C e as energias de ativação obtidas pelas constantes Xm, C e K do modelo de GAB foram de 300; 160 e 6 kJ/kg, respectivamente. O calor isostérico de adsorção foi de 3732 kJ/kg para umidade de equilíbrio de 0,5% b.s. e diminuiu com o aumento da umidade até valor próximo ao calor latente de vaporização da água pura a 36% b.s. As propriedades determinadas são características de amidos com elevado teor de amilopectina.

  11. Aerobic Oxidation of 5-(Hydroxymethyl)furfural Cyclic Acetal Enables Selective Furan-2,5-dicarboxylic Acid Formation with CeO2 -Supported Gold Catalyst.

    Science.gov (United States)

    Kim, Minjune; Su, Yaqiong; Fukuoka, Atsushi; Hensen, Emiel J M; Nakajima, Kiyotaka

    2018-05-14

    The utilization of 5-(hydroxymethyl)furfural (HMF) for the large-scale production of essential chemicals has been largely limited by the formation of solid humin as a byproduct, which prevents the operation of stepwise batch-type and continuous flow-type processes. The reaction of HMF with 1,3-propanediol produces an HMF acetal derivative that exhibits excellent thermal stability. Aerobic oxidation of the HMF acetal with a CeO 2 -supported Au catalyst and Na 2 CO 3 in water gives a 90-95 % yield of furan 2,5-dicarboxylic acid, an increasingly important commodity chemical for the biorenewables industry, from concentrated solutions (10-20 wt %) without humin formation. The six-membered acetal ring suppresses thermal decomposition and self-polymerization of HMF in concentrated solutions. Kinetic studies supported by DFT calculations identify two crucial steps in the reaction mechanism, that is, the partial hydrolysis of the acetal into 5-formyl-2-furan carboxylic acid involving OH - and Lewis acid sites on CeO 2 , and subsequent oxidative dehydrogenation of the in situ generated hemiacetal involving Au nanoparticles. These results represent a significant advance over the current state of the art, overcoming an inherent limitation of the oxidation of HMF to an important monomer for biopolymer production. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Abnormal reaction of 2,5-Dimethylfuran

    International Nuclear Information System (INIS)

    Pevzner, L.M.; Ignat'ev, V.M.

    1987-01-01

    The authors have shown that the expected hydroxymethylation at position 3 of the furan ring does not occur in the reaction of 2,5-dimethylfuran with paraform in acetic acid at 70-80 0 C with the dimethylfuran and paraform in molar ratios of 2:1-1:2, but the products from substitution in the side chain are formed. By vacuum distillation of the reaction mass the authors isolated 2-(5-methyl-2-furyl)- ethanol and a hygroscopic viscous product melting at 136 0 C (5 mm Hg). The yield of the reaction products depends on the molar ratio of the dimethylfuran and paraform. The PMR spectrum of the product contains signals for the β-protons of the furan ring with chemical shifts of 5.81 and 5.90 ppm, a signal for the methyl group in the furan ring at 2.22 ppm, a doublet at 3.72 ppm with spin-spin coupling constant of 6 Hz, a weak quintet at 3.20 ppm with the same constant, and a broadened signal in the region of 4.66 ppm for the proton of the hydroxyl group

  13. Furan- and Thiophene-2-Carbonyl Amino Acid Derivatives Activate Hypoxia-Inducible Factor via Inhibition of Factor Inhibiting Hypoxia-Inducible Factor-1

    Directory of Open Access Journals (Sweden)

    Shin-ichi Kawaguchi

    2018-04-01

    Full Text Available Induction of a series of anti-hypoxic proteins protects cells during exposure to hypoxic conditions. Hypoxia-inducible factor-α (HIF-α is a major transcription factor that orchestrates this protective effect. To activate HIF exogenously, without exposing cells to hypoxic conditions, many small-molecule inhibitors targeting prolyl hydroxylase domain-containing protein have been developed. In addition, suppression of factor inhibiting HIF-1 (FIH-1 has also been shown to have the potential to activate HIF-α. However, few small-molecule inhibitors of FIH-1 have been developed. In this study, we synthesized a series of furan- and thiophene-2-carbonyl amino acid derivatives having the potential to inhibit FIH-1. The inhibitory activities of these compounds were evaluated in SK-N-BE(2c cells by measuring HIF response element (HRE promoter activity. Several furan- and thiophene-2-carbonyl amino acid derivatives inhibited FIH-1 based on correlations among the docking score of the FIH-1 active site, the chemical structure of the compounds, and biological HIF-α/HRE transcriptional activity.

  14. USO DO REFRATÔMETRO ÓPTICO PORTÁTIL PARA MEDIÇÃO DA CONCENTRAÇÃO DE SOLUÇÕES DE AMIDO NA FLOTAÇÃO REVERSA DE MINÉRIO DE FERRO

    Directory of Open Access Journals (Sweden)

    Aline Lorraine Silva Lacerda

    2014-07-01

    Full Text Available Na flotação reversa de minério de ferro e comum a utilização de amido como depressor. Para a preparação do amido e necessário a adição de hidróxido de sódio para gelatinização. A quantificação de amido, assim como outros reagentes, pode se fazer necessária em diferentes etapas de ensaios de flotação. O presente trabalho avaliou a viabilidade de uso do refratômetro para quantificação de amido em soluções de depressores preparados a partir de farelo de mandioca e amido de milho sendo o processo de gelatinização realizado com a adição de hidróxido de sódio. Foram preparadas soluções com diferentes relações de amido/NaOH, que variando de 4/1 a 16/1. Os resultados mostraram as leituras de concentração realizadas no refratômetro não condizem com o real calculado, isso devido a presença de dois solutos (amido e hidróxido de sódio para um solvente (água, o que altera a leitura do instrumento, exceto para a relação 10/1, onde todo o amido foi gelatinizado consumindo todo o NaOH e apresentando apenas um soluto em solução. O refratômetro ao medir a concentração da solução para as demais proporções amido/ NaOH não estava medindo apenas a quantidade de amido, mas identificando o excesso de NaOH.

  15. Características físico-químicas e utilização em alimentos de amidos modificados por tratamento oxidativo Obtention, physicochemical characterization and applications in foods of starches modified by oxidative treatment

    Directory of Open Access Journals (Sweden)

    Marianne Ayumi Shirai

    2007-06-01

    Full Text Available A utilização de amidos modificados em alimentos tem sido uma alternativa para melhorar as características que os amidos nativos não podem conferir. Os objetivos deste trabalho foram: avaliar características físico-químicas de amidos modificados com peróxido de hidrogênio, utilizar os amidos obtidos para a elaboração de doce de leite e bala de goma americana e verificar a aceitação sensorial destes produtos. Para obtenção das amostras modificadas, os amidos foram suspensos em solução de Fe2SO4.7H2O 0,01% e, em seguida, adicionou-se peróxido de hidrogênio 1,25%, ajustou-se o pH para 3,0, deixou-se reagir a 45 °C/15 minutos, lavou-se e secou-se a amostra em estufa de ventilação forçada a 45 °C/24 horas. Os amidos modificados apresentaram maior expansão, conteúdo de carboxilas, poder redutor e susceptibilidade à sinérese. Em relação à viscosidade aparente, verificou-se que com a modificação química houve diminuição no pico de viscosidade, especialmente quando as amostras foram analisadas em pH 7,0. A análise sensorial do doce de leite revelou que houve preferência pelas amostras elaboradas com amido de mandioquinha-salsa modificado e com o amido de milho regular ácido-modificado. A bala de goma produzida com amido de mandioquinha-salsa modificado ocupou o segundo lugar entre a preferência dos julgadores.The use of modified starches in foods is made to improve characteristics that the native cannot confer. The objective of this work was to evaluate physicochemical characteristics of starches from several botanical sources after chemical modification with H2O2 considering technological properties of interest to the food industry. The modified starches were used in dulce de leche and starch gum and the sensorial acceptance of these products was verified. The chemical treatment included the suspension of the native starches in a 0.01% Fe2SO4, followed by addition of 1.25% H2O2 at pH 3.0 and reaction time of 15 min

  16. Physical, chemical and functional features of apple starch / Propriedades físicas, químicas e funcionais de amido de maçã

    Directory of Open Access Journals (Sweden)

    Gilvan Wosiacki

    2003-05-01

    Full Text Available Physical, chemical and functional features of apple starch. Apple juice contains some chemical agents like starch that may cause long-term turbidity, both in room temperature and refrigerated storage, with depreciation of the commercial value explained by the undesirable appearance. The objective of this article was to characterize some physical, chemical and functional features of purified apple starch as an earlier step aiming to establish the best conditions for its elimination from apple juice, according to routine processing. Apple starch was purified by an alkaline treatment with NaOH 0.15 N and washed with tap water down to neutral pH, and then dried at room temperature. Dry and purified cassava and corn starches were used as standards. Moisture level of apple starch was 13.5 g/100g, crude protein 0.03 g/100g, ash 2.49 g/100g, ether extract 0.04 g/100g and crude fiber 1.56 g/100g. Apple starch was characterized concerning chemical and functional aspects including rheological features like viscoelasticity, clarity and gel strength of the pastes. Apple starch granules in aqueous suspension were submitted to different temperatures aiming to determine their swelling power and solubility. Apple starch granules were also observed in scanning electronic microscope at 3.180x zoom. The results clearly show the apple starch with a functional behavior intermediate to the starches of cassava and of corn used as reference and may be used in order to establish an industrial procedure aiming to remove completely the starch during the processing of clarified apple juice.Os sucos de maçã apresentam agentes causais de turvação, entre eles o amido que, tanto à temperatura ambiente quanto sob refrigeração pode alterar sua aparência, o que determina uma perda de valor econômico do produto. O objetivo deste trabalho foi caracterizar o amido de maçã em relação a propriedades físicas, químicas e funcionais e com isso gerar informações cient

  17. One-step versus two-step mechanism of Diels-Alder reaction of 1-chloro-1-nitroethene with cyclopentadiene and furan.

    Science.gov (United States)

    Jasiński, Radomir

    2017-08-01

    DFT computational study shows that Diels-Alder (DA) reactions of 1-chloro-1-nitroethene with cyclopentadiene and furan have polar nature. However, their mechanism is substantially different. In particular, 1-chloro-1-nitroethene react with cyclopentadiene according to one-step mechanism. In the same time, more favourable channel associated with the P-DA reaction between furan and 1-chloro-1-nitroethene is a domino process, that comprises an initial hetero-Diels-Alder reaction yielding a [2+4] cycloadduct, which experiences a subsequent [3,3] sigmatropic shift to yield the expected formal [4+2] cycloadduct. This is a consequence of more polar nature of reaction, due to higher nucleophilicity of furan in comparison to cyclopentadiene. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. (E-3-(Anthracen-9-yl-1-(furan-2-ylprop-2-en-1-oneThis paper is dedicated to His Majesty King Bhumibol Adulyadej of Thailand (King Rama IX for his sustainable development of the country.

    Directory of Open Access Journals (Sweden)

    Jirapa Horkaew

    2010-04-01

    Full Text Available In the molecule of the title heteroaryl chalcone derivative, C21H14O2, the almost planar prop-2-en-1-one unit [r.m.s. deviation = 0.0087 (1 Å] forms dihedral angles of 5.81 (7 and 49.85 (6°, respectively, with the furan ring and anthracene ring system. In the crystal structure, the molecules are linked into a two-dimensional network parallel to (100 by C—H...O hydrogen bonds and π...π interactions involving the furan rings [centroid–centroid distance = 3.7205 (6 Å].

  19. Inhibition of the pore-forming protein perforin by a series of aryl-substituted isobenzofuran-1(3H)-ones.

    Science.gov (United States)

    Spicer, Julie A; Huttunen, Kristiina M; Miller, Christian K; Denny, William A; Ciccone, Annette; Browne, Kylie A; Trapani, Joseph A

    2012-02-01

    An aryl-substituted isobenzofuran-1(3H)-one lead compound was identified from a high throughput screen designed to find inhibitors of the lymphocyte pore-forming protein perforin. A series of analogs were then designed and prepared, exploring structure-activity relationships through variation of 2-thioxoimidazolidin-4-one and furan subunits on an isobenzofuranone core. The ability of the resulting compounds to inhibit the lytic activity of both isolated perforin protein and perforin delivered in situ by intact KHYG-1 natural killer effector cells was determined. Several compounds showed excellent activity at concentrations that were non-toxic to the killer cells. This series represents a significant improvement on previous classes of compounds, being substantially more potent and largely retaining activity in the presence of serum. Copyright © 2011 Elsevier Ltd. All rights reserved.

  20. Forensic Analysis of Polychlorinated Dibenzo-p-Dioxin and Furan Fingerprints to Elucidate Dechlorination Pathways.

    Science.gov (United States)

    Rodenburg, Lisa A; Dewani, Yashika; Häggblom, Max M; Kerkhof, Lee J; Fennell, Donna E

    2017-09-19

    Polychlorinated dibenzo-p-dioxins and -furans (PCDD/Fs) are persistent organic pollutants whose main removal process in the environment is due to biodegradation, and particularly anaerobic reductive dechlorination. Since PCDD/F congeners that are substituted in the lateral 2, 3, 7, and 8 positions are the most toxic, removal of these chlorines is advantageous, but previous studies have only demonstrated their removal under laboratory conditions. We evaluated a concentration data set of PCDD/F congeners with four or more chlorines along with all 209 polychlorinated biphenyl (PCB) congeners in surface water, treated and untreated wastewater, landfill leachate, and biosolids (NY CARP data set) to determine whether peri and peri/lateral dechlorination of PCDD/Fs occurs in these environments. Positive Matrix Factorization (PMF) applied to the data set revealed a factor indicative of the microbial dechlorination of PCBs, and this factor also contained a variety of non-2,3,7,8 substituted PCDD/F congeners. These results suggest that dechlorination of PCDD/Fs at the lateral positions is facile if not preferred in these environments. The relative lack of tetra- and penta-chlorinated PCDD/Fs suggested that dechlorination proceeds to PCDD/F congeners with less than four chlorines. The PMF results were confirmed by examining three samples that contained >90% PCB dechlorination products from the Fresh Kills Landfill and the Hudson River. Even without factor analysis, these samples demonstrated almost identical PCDD/F congener patterns. This study suggests that PCDD/Fs are reductively dechlorinated to nontoxic non-2,3,7,8 PCDD/F congeners in sewers and landfills as well as in the sediment of the Upper Hudson River.

  1. Características físicas de filmes biodegradáveis produzidos a partir de amidos modificados de mandioca Physical characteristics of cassava modified starch films

    Directory of Open Access Journals (Sweden)

    Celina Maria Henrique

    2008-03-01

    , foram mais permeáveis que o PVC. Porém, quando se compara o filme biodegradável de amidos modificados com o filme comercial de PVC, ainda há muito que se trabalhar na formulação para melhorar várias propriedades deste tipo de embalagem, que tem amplo uso atualmente.Cassava starches may be used as raw materials for developing biodegradable films. Some starch modification processes can make them miscible in cold water and others can modify their film properties, making them stronger and more flexible. The aim of this study was to evaluate the physical characteristics of biodegradable films developed from cassava modified starches using the casting process (dehydration of a filmogenic solution on Petri dishes. The modified starches used were cross linked, low and high viscosity carboxymethyl starches and esterified starch. Starch viscosity is an important property to produce the filmogenic solution and it was tested using the Rapid Visco Analyser (RVA. Excepting cross linked starch, all modified starches presented cold solubility. This property enables an easier preparation of the filmogenic solutions. However, all modified starches presented a severe reduction of setback values, property associated with film formation. The cassava modified starch films were compared to commercial PVC films of 0.0208 to 0.0217 mm thickness. The cassava modified starch films presented thickness values from 0.0551 to 0.1279 mm. The minimum thickness values were observed in pre-gelatinized and cross linked films. The scanning electron microscopy analysis of the films showed differences among the starches. The resulting films were transparent and homogeneous. There was no significant interference of film thickness in water vapor permeability and the films with 5% dry matter were more permeable than the PVC film. However, when modified starch films are compared to PVC commercial films, there is still much research to be made in the formulation to improve several properties necessary to

  2. Asymmetric Reduction of Substituted 2-Tetralones by Thermoanaerobacter pseudoethanolicus Secondary Alcohol Dehydrogenase

    KAUST Repository

    Bsharat, Odey; Musa, Musa M.; Vieille, Claire; Oladepo, Sulayman; Takahashi, Masateru; Hamdan, Samir

    2017-01-01

    Ketones bearing two bulky substituents, named bulky-bulky ketones, were successfully reduced to their corresponding optically enriched alcohols by using various mutants of Thermoanaerobacter pseudoethanolicus secondary alcohol dehydrogenase (TeSADH). Substituted 2-tetralones, in particular, were reduced to 2-tetralols with high conversion and high enantioselectivity. The pharmacological importance of substituted 2-tetralols as key drug-building blocks makes our biocatalytic reduction method a highly essential tool. We showed that changing the position of the substituent on the aromatic ring of 2-tetralones impacts their binding affinity and the reaction maximum catalytic rate. Docking studies with several TeSADH mutants explain how the position of the substituent on the tetralone influences the binding orientation of substituted 2-tetralones and their reaction stereoselectivity.

  3. Asymmetric Reduction of Substituted 2-Tetralones by Thermoanaerobacter pseudoethanolicus Secondary Alcohol Dehydrogenase

    KAUST Repository

    Bsharat, Odey

    2017-01-30

    Ketones bearing two bulky substituents, named bulky-bulky ketones, were successfully reduced to their corresponding optically enriched alcohols by using various mutants of Thermoanaerobacter pseudoethanolicus secondary alcohol dehydrogenase (TeSADH). Substituted 2-tetralones, in particular, were reduced to 2-tetralols with high conversion and high enantioselectivity. The pharmacological importance of substituted 2-tetralols as key drug-building blocks makes our biocatalytic reduction method a highly essential tool. We showed that changing the position of the substituent on the aromatic ring of 2-tetralones impacts their binding affinity and the reaction maximum catalytic rate. Docking studies with several TeSADH mutants explain how the position of the substituent on the tetralone influences the binding orientation of substituted 2-tetralones and their reaction stereoselectivity.

  4. Furan formation from fatty acids as a result of storage, gamma irradiation, UV-C and heat treatments

    Science.gov (United States)

    Furan is a possible human carcinogen that has been found in many thermally processed foods. The effects of thermal processing, gamma and UV-C irradiation on formation of furan from different fatty acids was studied. In addition, formation of furan from fatty acid emulsions during storage at 25C and...

  5. Adsorption of Amido Black 10B from aqueous solutions onto Zr (IV) surface-immobilized cross-linked chitosan/bentonite composite

    International Nuclear Information System (INIS)

    Zhang, Lujie; Hu, Pan; Wang, Jing; Huang, Ruihua

    2016-01-01

    Graphical abstract: - Highlights: • Zr-CCB was prepared and characterized. • The adsorption of AB10B followed the Langmuir isotherm model. • The pseudo-second-order model described the kinetic behavior. - Abstract: Zr(IV) surface-immobilized cross-linked chitosan/bentonite composite was synthesized by immersing cross-linked chitosan/bentonite composite in zirconium oxychloride solution, and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, Scanning electron microscopy techniques. The adsorption of an anionic dye, Amido Black 10B, from aqueous solution by Zr(IV) loaded cross-linked chitosan/bentonite composite was investigated as a function of loading amount of Zr(IV), adsorbent dosage, pH value of initial dye solution, and ionic strength. The removal of Amido Black 10B increased with an increase in loading amount of Zr(IV) and adsorbent dosage, but decreased with an increase in pH or ionic strength. The adsorption of AB10B onto Zr(IV) loaded cross-linked chitosan/bentonite composite was favored at lower pH values and higher temperatures. The Langmuir isotherm model fitted well with the equilibrium adsorption isotherm data and the maximum monolayer adsorption capacity was 418.4 mg/g at natural pH value and 298 K. The pseudo-second-order kinetic model well described the adsorption process of Amido Black 10B onto Zr(IV) loaded cross-linked chitosan/bentonite composite. The possible mechanisms controlling Amido Black 10B adsorption included hydrogen bonding and electrostatic interactions.

  6. Adsorption of Amido Black 10B from aqueous solutions onto Zr (IV) surface-immobilized cross-linked chitosan/bentonite composite

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lujie; Hu, Pan; Wang, Jing; Huang, Ruihua, E-mail: hrh20022002@163.com

    2016-04-30

    Graphical abstract: - Highlights: • Zr-CCB was prepared and characterized. • The adsorption of AB10B followed the Langmuir isotherm model. • The pseudo-second-order model described the kinetic behavior. - Abstract: Zr(IV) surface-immobilized cross-linked chitosan/bentonite composite was synthesized by immersing cross-linked chitosan/bentonite composite in zirconium oxychloride solution, and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, Scanning electron microscopy techniques. The adsorption of an anionic dye, Amido Black 10B, from aqueous solution by Zr(IV) loaded cross-linked chitosan/bentonite composite was investigated as a function of loading amount of Zr(IV), adsorbent dosage, pH value of initial dye solution, and ionic strength. The removal of Amido Black 10B increased with an increase in loading amount of Zr(IV) and adsorbent dosage, but decreased with an increase in pH or ionic strength. The adsorption of AB10B onto Zr(IV) loaded cross-linked chitosan/bentonite composite was favored at lower pH values and higher temperatures. The Langmuir isotherm model fitted well with the equilibrium adsorption isotherm data and the maximum monolayer adsorption capacity was 418.4 mg/g at natural pH value and 298 K. The pseudo-second-order kinetic model well described the adsorption process of Amido Black 10B onto Zr(IV) loaded cross-linked chitosan/bentonite composite. The possible mechanisms controlling Amido Black 10B adsorption included hydrogen bonding and electrostatic interactions.

  7. Efeito do processamento e das condições ambientais nas propriedades de materiais biodegradáveis de amido de aveia

    Directory of Open Access Journals (Sweden)

    Melicia Cintia Galdeano

    2014-01-01

    Full Text Available A característica hidrofílica dos biomateriais a base de amido resulta em alta instabilidade diante de diferentes condições ambientais. O amido de aveia, por possuir um conteúdo maior de lipídios em relação a outros amidos, torna-se uma fonte interessante, uma vez que a hidrofobicidade aumentada pode atuar reduzindo sua capacidade de sorção de umidade. O objetivo do trabalho foi investigar o comportamento de filmes e laminados de amido de aveia, produzidos por casting e extrusão, respectivamente, plastificados com glicerol, sorbitol e ureia e armazenados em diferentes condições de umidade relativa. Mesmo com a presença do lipídio nativo, os materiais ainda mostraram instabilidade diante do aumento da umidade relativa de armazenagem, sendo observado um decréscimo na força e um aumento na deformação nos testes de perfuração. Em geral os biomateriais plastificados com glicerol apresentaram maior capacidade de sorção de água. O sorbitol foi o plastificante mais efetivo, pois produziu materiais com propriedades mecânicas similares aos outros plastificantes mesmo sendo usado em menor concentração molar. O processo de extrusão resultou em materiais finais com estruturas mais abertas e fragmentadas.

  8. Brominated flame retardants in end-of-life management not problematic regarding formation of brominated dioxins/furans (PBDD/F)

    Energy Technology Data Exchange (ETDEWEB)

    Drohmann, D. [Great Lakes Chemical, Bergisch Gladbach (Germany); Tange, L. [Eurobrom B.V., Rijswijk (Netherlands); Rothenbacher, K. [Bromine Science and Environmental Forum, Brussels (Belgium)

    2004-09-15

    Bromine is used as the building block for some of the most effective flame retarding agents available to the plastics industry today. They are used to protect against the risk of accidental fires in a wide range of products. Brominated flame retardants (BFRs), as all flame retardants, act to decrease the risk of fire by increasing the fire resistance of the materials in which they are applied. There is a perception that BFRs affect adversely the end-of-life management of plastics through formation of brominated dioxins and furans (PBDD/F). In fact, there exists a wide range of data and practical experience demonstrating that the end-of-life management of plastics containing BFRs are fully compliant with legislation setting the strictest limit values for PBDD/F and is fully compatible with an integrated waste management concept. Furthermore, all existing EU Risk Assessments on BFRs according to the European Existing Substance Regulations include an assessment of the potential formation of dioxins and furans. All assessments conclude that the risks along the life-cycle of the chemicals for human health and the environment associated with the potential formation of PBDD/F are negligible. Moreover, two recent Swedish studies found, that consumer products with BFRs emit less pollutants than the same products without any FRs. This paper summarises available studies and presents the latest results regarding potential formation of brominated dioxins and furans in end-of-life management of plastics containing brominated flame retardants. Additionally, before BFR products enter the market they are tested for PBDD/F according to the ''German Dioxin Ordinance''. Depending on the substitution pattern the limit values for PBDD/F are set at <1{mu}g/kg (ppb) respectively <5{mu}g/kg (ppb).

  9. SO2 policy and input substitution under spatial monopoly

    International Nuclear Information System (INIS)

    Gerking, Shelby; Hamilton, Stephen F.

    2010-01-01

    Following the U.S. Clean Air Act Amendments of 1990, electric utilities dramatically increased their utilization of low-sulfur coal from the Powder River Basin (PRB). Recent studies indicate that railroads hauling PRB coal exercise a substantial degree of market power and that relative price changes in the mining and transportation sectors were contributing factors to the observed pattern of input substitution. This paper asks the related question: To what extent does more stringent SO 2 policy stimulate input substitution from high-sulfur coal to low-sulfur coal when railroads hauling low-sulfur coal exercise spatial monopoly power? The question underpins the effectiveness of incentive-based environmental policies given the essential role of market performance in input, output, and abatement markets in determining the social cost of regulation. Our analysis indicates that environmental regulation leads to negligible input substitution effects when clean and dirty inputs are highly substitutable and the clean input market is mediated by a spatial monopolist. (author)

  10. Poly(Amido Amine)s containing agmatine and butanol side chains as efficient gene carriers

    NARCIS (Netherlands)

    Won, Young-Wook; Ankone, Martinus J.K.; Engbersen, Johannes F.J.; Feijen, Jan; Kim, S.W.

    2016-01-01

    A new type of bioreducible poly(amido amine) copolymer is synthesized by the Michael addition polymerization of cystamine bisacrylamide (CBA) with 4-aminobutylguanidine (agmatine, AGM) and 4-aminobutanol (ABOL). Since the positively charged guanidinium groups of AGM and the hydroxybutyl groups of

  11. Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods

    Directory of Open Access Journals (Sweden)

    Leszek Bober

    2012-05-01

    Full Text Available Pharmacological and physicochemical classification of the furan and thiophene amide derivatives by multiple regression analysis and partial least square (PLS based on semi-empirical ab initio molecular modeling studies and high-performance liquid chromatography (HPLC retention data is proposed. Structural parameters obtained from the PCM (Polarizable Continuum Model method and the literature values of biological activity (antiproliferative for the A431 cells expressed as LD50 of the examined furan and thiophene derivatives was used to search for relationships. It was tested how variable molecular modeling conditions considered together, with or without HPLC retention data, allow evaluation of the structural recognition of furan and thiophene derivatives with respect to their pharmacological properties.

  12. Reduction of dioxins-furans formed in combustion and Denovo synthesis

    International Nuclear Information System (INIS)

    Teller, A.J.

    1991-01-01

    This paper reports that the acceptance that Denovo synthesis of dioxins and furans occurs on the surface of flyash particles in the temperature range of 200 degrees C-400 degrees C, establishes that post combustion formation of dioxins must be addressed. Dioxin-guran emission reduction can be achieved by addition of synthesis inhibitors, adsorbers, catalytic destruction, or utilization of the inherent capability of silica-alumina for chemisorption of the dioxins and furans within appropriate temperature ranges. The chemisorption procedure, as applied to commercial incinerator operation adds no additional equipment or capital and operating costs to the system. The equilibria rather kinetics controls the absorption. Thus, wide variation in inlets are accepted by the system with no externally induced system response required. Experience at the Commerce, California waste to energy system established reductions of total dioxin and furan cogeners to 1.9 ng/Nm 3 from inlet concentrations ranging from 28 to 735 ng/Mm 3 , within the existing acid gas-particulate-heavy metal removal system, using only temperature control to affect the removal by chemisorption

  13. Obtenção de amidos termoplásticos para a extrusão de pós cerâmicos

    Directory of Open Access Journals (Sweden)

    Laricy Janaína Dias do Amaral

    2016-01-01

    Full Text Available Resumo Polímeros termoplásticos podem ser utilizados como veículo orgânico (VO em processos de conformação de peças cerâmicas por extrusão. Neste contexto, termoplásticos à base de amido surgem como uma alternativa sustentável ao emprego das poliolefinas convencionalmente utilizadas na formulação de pastas cerâmicas. O passo inicial para o desenvolvimento de um feedstock (carga extrudável é a seleção adequada do sistema polimérico ligante, o qual é responsável por conferir propriedades reológicas adequadas durante o processamento. O presente trabalho se propôs a caracterizar termoplásticos a base de amido obtidos na presença de ácido cítrico e avaliar o potencial de utilização destes materiais na extrusão de pós cerâmicos. A processabilidade das pré-misturas de amido foi avaliada em extrusora dupla-rosca e em reômetro de torque. A variação dos teores de água e glicerol na composição das pré-misturas de amido influenciou significativamente as interações entre as cadeias poliméricas, promovendo alterações nos valores de densidade e de viscosidade para a maior parte das amostras analisadas. O amido foi parcialmente esterificado como efeito da ação do ácido cítrico no sistema. Dentre as formulações investigadas, a amostra hidratada e processada com 34% p/p de glicerol (H-34 foi a que apresentou as melhores propriedades de pasta, podendo ser futuramente empregada em processos de conformação de pós cerâmicos.

  14. Características físico-químicas de amidos modificados de grau alimentício comercializados no Brasil Physicochemical characteristics of modified food starches commercialized in Brazil

    Directory of Open Access Journals (Sweden)

    Graziela de Oliveira da Silva

    2006-03-01

    Full Text Available Amidos nativos e modificados têm grande importância na indústria de alimentos, sendo empregados principalmente como espessantes e/ou estabilizantes. As limitações das pastas e géis obtidos a partir de amidos nativos tornaram necessário o desenvolvimento de muitos tipos de amidos modificados para aplicações alimentícias. Neste trabalho, algumas amostras de amidos modificados (n=20 disponíveis no Brasil foram recebidas de empresas produtoras e analisadas em relação a algumas características físico-químicas e propriedades tecnológicas. Um levantamento do uso de amidos modificados em alimentos também é apresentado, revelando crescente interesse pela indústria nesses ingredientes. Constatou-se que, enquanto alguns alimentos industrializados, como maioneses contêm em suas formulações amidos modificados, outros como condimento preparado de mostarda contêm apenas amido nativo. As análises físico-químicas permitiram concluir que alguns amidos modificados apresentavam teores elevados de acidez, relacionados à presença de reagentes utilizados em sua obtenção, não havendo presença de carboxilas nas suas macromoléculas. De maneira geral, os resultados de algumas propriedades tecnológicas avaliadas, tais como viscosidade aparente das pastas, resistência a congelamento/descongelamento e propriedade de expansão, estavam de acordo com a descrição dos produtos. As fontes mais observadas nas modificações foram, em ordem decrescente de importância, a mandioca, o milho ceroso e o milho regular.Native and modified starches are very valued for the food industry, being employed mainly as thickeners or stabilizers. Several technological limitations of native starch pastes or gels made it necessary to develop modified starches for the food industry. In the present work modified starch samples (n=20 available in Brazil were received from some producers and evaluated in relation to selected physicochemical characteristics and

  15. Influence of the Hardener on the Emission of Harmful Substances from Moulding Sands with Furan Resin in the Pyrolysis Process

    OpenAIRE

    Holtzer M.; Kmita A.; Żymankowska-Kumon S.; Bobrowski A.; Dańko R.

    2016-01-01

    The furan resin offers advantages such as high intensity, low viscosity, good humidity resistance and is suitable for cast different casting alloys: steel, cast iron and non-ferrous metal casting. For hardening furan resins are used different hardeners (acid catalysts). The acid catalysts have significant effects on the properties of the cured binder (e,g. binding strength and thermal stability) [1 - 3]. Investigations of the gases emission in the test foundry plant were performed according t...

  16. Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furan

    International Nuclear Information System (INIS)

    Morini, F; Deleuze, M S; Watanabe, N; Takahashi, M

    2015-01-01

    The role of molecular vibrations has been theoretically investigated in the electronic ground state on the (e, 2e) valence orbital momentum profiles of furan by means of two complementary approaches. The first one relies upon the principles of Born-Oppenheimer Molecular Dynamics (BOMD), whereas the second one, referred as Harmonic Analytical Quantum Mechanical (HAQM) approach, includes on quantum-mechanical (paper)

  17. Propriedades de barreira e solubilidade de filmes de amido de ervilha associado com goma xantana e glicerol Barrier properties of films of pea starch associated with xanthan gum and glycerol

    Directory of Open Access Journals (Sweden)

    Manoel D. da Matta Jr

    2011-01-01

    Full Text Available O objetivo do trabalho foi avaliar as propriedades de barreira e a solubilidade de biofilmes obtidos a partir de amido de ervilha de alto teor de amilose em associação à goma xantana e glicerol. Soluções filmogênicas (SF com diferentes teores de amido de ervilha (3, 4 e 5%, goma xantana (0, 0,05 e 0,1% e glicerol (proporção glicerol-amido de 1:5 P/P foram estudadas. As SF foram obtidas por ebulição (5 minutos, seguida de autoclavagem por 1 hora a 120 ºC e os filmes foram preparados por casting. O aumento da concentração de amido e de glicerol na composição causou aumento da espessura e da solubilidade dos filmes em água. O plastificante gerou ainda elevação dos coeficientes de permeabilidade ao vapor d'água e ao oxigênio. O aumento da concentração da goma xantana não interferiu nas propriedades estudadas. Os biofilmes obtidos a partir de amido de ervilha verde, associado ou não à goma xantana e glicerol, se comparados com filmes de amido de ervilha amarelas e outras fontes de amido, apresentaram boa barreira ao oxigênio e ao vapor d'água e baixa solubilidade em água.The aim of this work was to evaluate the barrier properties and solubility of biofilms made from wrinkled pea starch with high amylose content in association with xanthan gum and glycerol. Filmogenic solution (FS with different levels of pea starch (3, 4 and 5%, xanthan gum (0, 0.05 and 0.1% and glycerol (glycerol-starch 1:5 W/W were tested. FS was obtained by boiling (5 minutes, autoclaving for 1 hour at 120 ºC and the films were prepared by casting. The increased concentration of starch and glycerol in the composition caused increases in thickness of the films and in their solubility in water. The plasticizer also generated higher coefficients of water vapor and oxygen permeabilities to water vapor and to oxygen. The increasing concentration of xanthan gum did not interfere in the properties studied. Biofilms produced with wrinkled pea starch, with or

  18. Viscosidade extensional e em cisalhamento de suspensões acidificadas de amido de amaranto e caseinato de sódio

    OpenAIRE

    Gozzo,Angela Maria; Cunha,Rosiane Lopes; Menegalli,Florencia Cecília

    2009-01-01

    Foram avaliadas as viscosidades extensional e em cisalhamento de suspensões acidificadas de amido de amaranto-caseinato de sódio. Sistemas mistos de amido de amaranto-caseinato de sódio acidificados com glucona-delta-lactona (GDL) foram estudados por ensaios reológicos em compressão biaxial e cisalhamento. Os efeitos da velocidade de acidificação (lenta e rápida) e pH final (neutro e no ponto isoelétrico da caseína) foram avaliados considerando as interações entre os biopolímeros e sua conseq...

  19. Improving Water Repellence and Friability of Tannin-Furanic Foams by Oil-Grafted Flavonoid Tannins

    Directory of Open Access Journals (Sweden)

    Géraldine Rangel

    2016-08-01

    Full Text Available Tannin-furanic biobased foams, based on the co-reaction of bark-derived condensed tannins and thermoset furanic polymers, have low thermal conductivity, are self-extinguishing, and have high fire resistance, which allows their development for several industrial uses. One of their main drawbacks, however, is the absorption of water within the foam itself. Another problem is the rather friable surface, which is a definite drawback for some potential applications. In this work, these two problems are minimized or eliminated by introducing a component of oil-grafted tannin in the foam formulation. The incorporation of fatty chains markedly decreased foam friability and increased water repellency in the body of the foams. These properties and the compounds formed by fatty acids grafting onto the tannin flavonoids were extensively tested.

  20. Caracterización fisicoquímica de almidones de tubérculos cultivados en Yucatán, México Caracterização físico-química de amidos de tubérculos cultivados em Yucatán, México

    Directory of Open Access Journals (Sweden)

    Marilyn Hernández-Medina

    2008-09-01

    Full Text Available Se realizó la evaluación de las propiedades fisicoquímicas y funcionales de almidones de tubérculos: makal (Xanthosoma yucatanensis, camote (Ipomea batata, yuca (Manihot esculenta Crantz y sagú (Marantha arundinacea. El tamaño promedio de los gránulos de almidón varió de 10,6 a 16,5 µm. La amilosa fue de 23,6, 19,6, 17,0 y 22,7%, para el makal, camote, yuca y sagú. Las temperaturas de gelatinización fueron de 78,4, 61,3, 65,2 y 74,9 °C, respectivamente. El almidón de yuca fue el que presentó mayor poder de hinchamiento y solubilidad. La viscosidad máxima fue para el almidón de yuca. El almidón de camote presentó la mayor claridad de gel (51,8% y el de makal, la menor (10,9%. El almidón de yuca fue el más elástico (36,2%. Los almidones de makal y de sagú pueden ser utilizados en productos que requieren altas temperaturas de procesamiento. Los almidones de camote y de yuca pueden ser incluidos en sistemas alimenticios como espesantes, estabilizantes y gelificantes en alimentos refrigerados y congelados.Foram avaliadas as propriedades físico-químicas e funcionais de amidos dos seguintes tubérculos: makal (Xanthosoma yucatanensis, batata-doce (Ipomea batata, mandioca (Manihot esculenta Crantz e araruta (Marantha arundinacea. O tamanho médio dos grânulos de amido variou de 10,6 a 16,5 µm. A amilose foi de 23,6, 19,6, 17,0 e 22,7%, para makal, batata-doce, mandioca e araruta. As temperaturas de gelatinização foram de 78,4, 61,3, 65,2 e 74,9 °C, respectivamente. O amido de mandioca foi o que apresentou maior poder de inchamento e solubilidade. A viscosidade máxima foi para o amido de mandioca. O amido de batata-doce apresentou a maior claridade de gel (51,8% e o amido de makal, a menor (10,9%. O amido de mandioca foi o mais elástico (36,2%. Os amidos de makal e de araruta podem ser utilizados em produtos que requerem altas temperaturas de processamento. Os amidos de batata-doce e de mandioca podem ser incluídos em

  1. Hydrolyzed collagen, modified starch and guar gum addition in turkey ham Adição de colágeno hidrolisado, amido modificado e goma guar em presunto de peru

    Directory of Open Access Journals (Sweden)

    Rosa Cristina Prestes

    2012-07-01

    Full Text Available The main problems observed in cooked hams are bad sliceability and excessive fluid loss after cooking. To reduce these problems the industry uses non-meat ingredients such as soy protein and carrageenan, but under Brazilian law, it is not allowed to add starch or modified starch in hams. Three ingredients were tested in the present research: modified starch (0 to 2.0%, gum guar (0 to 0.30% and hydrolyzed collagen (0 to 2.0%, following a 2³ full factorial design with five repetitions in the central point. The guar gum produced low resistance to reheating, however in losses by cooling, the results were adequate. The hydrolyzed collagen tested did not give satisfactory results, showing low acceptance due to formation of gel in the ham and high losses. The developed products were not different from the commercial product in relation to texture (P>0.05. The formulation F6 (2.0% of modified starch was the one with the best results and greater acceptance as detected by the tasters. Based on the results obtained it seems appropriate to propose the legal permission of starch in ham or the creation of a new class of product in which starch addition would be allowed.Os principais problemas observados em presuntos são a má fatiabilidade e a perda excessiva de líquidos após o cozimento. Para reduzir esses problemas, a indústria utiliza ingredientes não cárneos, tais como a proteína de soja e a carragena, porém, segundo a legislação brasileira, não é permitida a adição de amido ou amido modificado. Neste trabalho, foram testados três ingredientes, em presunto cozido de peru: amido modificado (0 a 2,0%, goma guar (0 a 0,30% e colágeno hidrolisado (0 a 2,0%, seguindo um delineamento fatorial completo 2³ com cinco repetições no ponto central. A goma guar apresentou baixa resistência ao reaquecimento, no entanto, nas perdas por resfriamento, os resultados foram adequados. O colágeno hidrolisado testado não proporcionou resultados satisfat

  2. Zn substitution NiFe{sub 2}O{sub 4} nanoparticles with enhanced conductivity as high-performances electrodes for lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Junwei [Guang dong Engineering Technology Research Center of Efficient Green Energy and Environmental Protection Materials, Guangzhou 510006 (China); Guang dong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Hou, Xianhua, E-mail: houxh@scnu.edu.cn [Guang dong Engineering Technology Research Center of Efficient Green Energy and Environmental Protection Materials, Guangzhou 510006 (China); Guang dong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Huang, Fengsi; Shen, Kaixiang [Guang dong Engineering Technology Research Center of Efficient Green Energy and Environmental Protection Materials, Guangzhou 510006 (China); Guang dong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Lam, Kwok-ho [Department of Electrical Engineering, The Hong Kong Polytechnic University, Hunghom, Kowloon 999077 (Hong Kong); Ru, Qiang [Guang dong Engineering Technology Research Center of Efficient Green Energy and Environmental Protection Materials, Guangzhou 510006 (China); Guang dong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Hu, Shejun, E-mail: husj@scnu.edu.cn [Guang dong Engineering Technology Research Center of Efficient Green Energy and Environmental Protection Materials, Guangzhou 510006 (China); Guang dong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China)

    2016-08-15

    Zn{sup 2+} ion substituted nickel ferrite nanomaterials with the chemical formula Ni{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} for x = 0, 0.3, 0.5, 0.7 and 1 have been synthesized by a facile green-chemical hydrothermal method as anode materials in lithium ion battery. The morphology and structure of the samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The physical and electrochemical properties were tested by electrochemical system. Furthermore, the energetic and electronic properties of the samples were investigated by density functional calculations. The results suggest that Zn substitution can affect the conduction performance of the zinc - nickel ferrite. Meanwhile, electrochemical results show that an enhancement in the capacity with increasing Zn concentration is observed especially for x = 0.3 which exhibit high discharge capacity of 1416 mAh g{sup −1}at the end of 100th cycle. Moreover, the theoretical research method with high yield synthesis strategy described in the present work holds promise for the general fabrication of other metallic elements substitution in complex transition metal oxides for high power LIBs. - Highlights: • Ni{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} anodes have been synthesized by hydrothermal method. • First principles calculation was used to investigate the conduction performance. • Electrochemical performance was enhanced with Zn substitution.

  3. Potential radiosensitizing agents. 5. 2-Substituted benzimidazole derivatives

    International Nuclear Information System (INIS)

    Gupta, R.P.; Larroquette, C.A.; Agrawal, K.C.

    1982-01-01

    A series of 2-substituted benzimidazoles and their derivatives have been synthesized and tested for their ability to selectively sensitize hypoxic Chinese hamster cells (V-79) toward the lethal effect of ionizing radiation. These compounds were prepared by reacting the 2-substituted benzimidazoles with 1,2-epoxy-3-methoxypropane in the presence of potassium carbonate. Reaction of the 2-nitro and 2-methylfonyl analogue with the epoxide also yielded a cyclized material, which was confirmed to be a benzimidazo[2,1-b]oxazole. In an attempt to increase the electron affinity, 5- or 6-nitro-2-substituted-benzimidazoles were also synthesized and then reacted with the epoxide to yield the corresponding 1-substituted derivatives. The results of the biological tests for the radiosensitizing activity of these agents against Chinese hamster cells (V-79) in culture indicated that the 2-nitro-substituted analogues were the most effective sensitizers in this series

  4. An experimental study of furan adsorption and decomposition on vicinal palladium surfaces using scanning tunneling microscopy

    Science.gov (United States)

    Loui, A.; Chiang, S.

    2018-04-01

    The intact adsorption and decomposition of furan (C4H4O) on vicinal palladium surfaces with (111)-oriented terraces has been studied by scanning tunneling microscopy (STM) over a range of temperatures. STM images at 225 K show that furan molecules lie flat and prefer to adsorb at upper step edges. At 225 K, furan molecules adsorbed on "narrow" terraces of 20 to 45 Å in width appear to diffuse more readily than those adsorbed on "wide" terraces of 160 to 220 Å. A distinct population of smaller features appears in STM images on "narrow" terraces at 288 K and on "wide" terraces at 415 K and is identified with the C3H3 decomposition product, agreeing with prior studies which demonstrated that furan dissociates on Pd(111) to yield carbon monoxide (CO) and a C3H3 moiety in the 280 to 320 K range. Based on our direct visualization of this reaction using STM, we propose a spatial mechanism in which adsorption of furan at upper step edges allows catalysis of the dissociation, followed by diffusion of the product to lower step edges.

  5. Magnetically modified sheaths of Leptothrix sp. as an adsorbent for Amido black 10B removal

    International Nuclear Information System (INIS)

    Angelova, Ralitsa; Baldikova, Eva; Pospiskova, Kristyna; Safarikova, Mirka; Safarik, Ivo

    2017-01-01

    The goal of this study was to assess the biosorption of Amido black 10B dye from aqueous solutions on magnetically modified sheaths of Leptothrix sp. in a batch system. The magnetic modification of the sheaths was performed using both microwave synthesized iron oxide nano- and microparticles and perchloric acid stabilized ferrofluid. The native and both magnetically modified sheaths were characterized by SEM. Various parameters significantly affecting the adsorption process, such as pH, contact time, temperature and initial concentration, were studied in detail using the adsorbent magnetized by both methods. The highest adsorption efficiency was achieved at pH 2. The maximum adsorption capacities of both types of magnetized material at room temperature were found to be 339.2 and 286.1 mg of dye per 1 g of ferrofluid modified and microwave synthesized particles modified adsorbent, respectively. Thermodynamic study of dye adsorption revealed a spontaneous and endothermic process in the temperature range between 279.15 and 313.15 K. The data were fitted to various equilibrium and kinetic models. Experimental data matched well with the pseudo-second-order kinetics and Freundlich isotherm model. The Leptothrix sheaths have excellent efficacy for dye adsorption. This material can be used as an effective, low-cost adsorbent. - Highlights: • Magnetic modification of Leptothrix sheaths using two methods is proposed. • Such magnetic material is an excellent adsorbent for Amido black 10B. • The magnetically modified sheaths can be easily separated by magnets.

  6. Magnetically modified sheaths of Leptothrix sp. as an adsorbent for Amido black 10B removal

    Energy Technology Data Exchange (ETDEWEB)

    Angelova, Ralitsa [Department of Nanobiotechnology, Biology Centre, ISB, CAS, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic); Department of General and Industrial Microbiology, Faculty of Biology, Sofia University “St. Kliment Ohridski”, 8 Dragan Tsankov Blvd, 1164 Sofia (Bulgaria); Laboratory Microwave Magnetics, Institute of Electronics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee Blvd, 1784 Sofia (Bulgaria); Baldikova, Eva [Global Change Research Institute, CAS, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic); Department of Applied Chemistry, Faculty of Agriculture, University of South Bohemia, Branisovska 1457, 370 05 Ceske Budejovice (Czech Republic); Pospiskova, Kristyna [Regional Centre of Advanced Technologies and Materials, Palacky University, Slechtitelu 27, 783 71 Olomouc (Czech Republic); Safarikova, Mirka [Department of Nanobiotechnology, Biology Centre, ISB, CAS, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic); Global Change Research Institute, CAS, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic); Safarik, Ivo, E-mail: ivosaf@yahoo.com [Department of Nanobiotechnology, Biology Centre, ISB, CAS, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic); Global Change Research Institute, CAS, Na Sadkach 7, 370 05 Ceske Budejovice (Czech Republic); Regional Centre of Advanced Technologies and Materials, Palacky University, Slechtitelu 27, 783 71 Olomouc (Czech Republic)

    2017-04-01

    The goal of this study was to assess the biosorption of Amido black 10B dye from aqueous solutions on magnetically modified sheaths of Leptothrix sp. in a batch system. The magnetic modification of the sheaths was performed using both microwave synthesized iron oxide nano- and microparticles and perchloric acid stabilized ferrofluid. The native and both magnetically modified sheaths were characterized by SEM. Various parameters significantly affecting the adsorption process, such as pH, contact time, temperature and initial concentration, were studied in detail using the adsorbent magnetized by both methods. The highest adsorption efficiency was achieved at pH 2. The maximum adsorption capacities of both types of magnetized material at room temperature were found to be 339.2 and 286.1 mg of dye per 1 g of ferrofluid modified and microwave synthesized particles modified adsorbent, respectively. Thermodynamic study of dye adsorption revealed a spontaneous and endothermic process in the temperature range between 279.15 and 313.15 K. The data were fitted to various equilibrium and kinetic models. Experimental data matched well with the pseudo-second-order kinetics and Freundlich isotherm model. The Leptothrix sheaths have excellent efficacy for dye adsorption. This material can be used as an effective, low-cost adsorbent. - Highlights: • Magnetic modification of Leptothrix sheaths using two methods is proposed. • Such magnetic material is an excellent adsorbent for Amido black 10B. • The magnetically modified sheaths can be easily separated by magnets.

  7. PHYSICAL AND PHYSICOCHEMICAL CHARACTERIZATION OF Hedychium coronarium RHIZOMES AND STARCH CARACTERIZAÇÃO FÍSICA E FÍSICO-QUÍMICA DE RIZOMAS E AMIDO DO LÍRIO-DO-BREJO (Hedychium coronarium

    Directory of Open Access Journals (Sweden)

    Diego Palmiro Ramirez ascheri

    2010-05-01

    Full Text Available

    The objectives of this research were to evaluate the chemical composition of Hedychium coronarium rhizomes and isolate and characterize their starch by conducting physical and physicochemical analyses. The chemical composition of isolated starch granules was also determined, as well as shape, size, particle distribution size by laser diffraction, paste viscosity by rapid visco-analysis, swelling power, water solubility index, thermal property by differential scanning calorimetry, and crystallinity by X-ray diffraction. Rhizomes presented high water content and low lipids, carbohydrates, ash, protein and fiber levels. Due to its low dry matter content (17.3%, with 21.97% of starch, as well as long fibers and latex, which hamper starch extraction, the white ginger lily rhizomes are not interesting as a starch source. The isolated starch showed 99.2% purity, with 37.2% of amylase content. The starch granules presented an irregular polyhedral shape and average size of 38.2 ?m. The crystalline structure of the starch granules was type A, which is maintained by strong internal associative forces that reduce water solubility. The starch gelatinization temperature occurs between 73.1ºC and 78.7°C. The starch paste viscosity profile showed high stability at 95°C and high tendency to retrograde, suggesting its use in adhesive and food industries

  8. Furan quantification in bread crust: development of a simple and sensitive method using headspace-trap GC-MS.

    Science.gov (United States)

    Huault, Lucie; Descharles, Nicolas; Rega, Barbara; Bistac, Sophie; Bosc, Véronique; Giampaoli, Pierre

    2016-01-01

    To study reactivity in bread crust during the baking process in the pan, we followed furan mainly resulting from Maillard and caramelisation reactions in cereal products. Furan quantification is commonly performed with automatic HS-static GC-MS. However, we showed that the automatic HS-trap GC-MS method can improve the sensitivity of the furan quantification. Indeed, this method allowed the LOD to be decreased from 0.3 ng g(-1) with HS-static mode to 0.03 ng g(-1) with HS-trap mode under these conditions. After validation of this method for furan quantification in bread crust, a difference between the crust extracted from the bottom and from the sides of the bread was evident. The quantity of furan in the bottom crust was five times lower than in the side crust, revealing less reactivity on the bottom than on the sides of the bread during the baking process in the pan. Differences in water content may explain these variations in reactivity.

  9. The use of stir bar sorptive extraction-A potential alternative method for the determination of furan, evaluated using two example food matrices

    Energy Technology Data Exchange (ETDEWEB)

    Ridgway, Kathy, E-mail: Kathy.Ridgway@Unilever.com [Safety and Environmental Assurance Centre, Unilever Colworth, Bedfordshire, MK44 1LQ (United Kingdom); Lalljie, Sam P.D. [Safety and Environmental Assurance Centre, Unilever Colworth, Bedfordshire, MK44 1LQ (United Kingdom); Smith, Roger M. [Department of Chemistry, Loughborough University, Loughborough, Leics, LE11 3TU (United Kingdom)

    2010-01-11

    A comparison is made between static headspace analysis and stir bar sorptive extraction (SBSE) for the quantitative determination of furan. The SBSE technique was optimised and evaluated using two example food matrices (coffee and jarred baby food). The use of the SBSE technique in most cases, gave comparable results to the static headspace method, using the method of standard additions with d{sub 4}-labelled furan as an internal standard. Using the SBSE method, limits of detection down to 2 ng g{sup -1} were achieved, with only a 1 h extraction. The method was performed at ambient temperatures, thus eliminating the possibility of formation of furan during extraction.

  10. The use of stir bar sorptive extraction-A potential alternative method for the determination of furan, evaluated using two example food matrices

    International Nuclear Information System (INIS)

    Ridgway, Kathy; Lalljie, Sam P.D.; Smith, Roger M.

    2010-01-01

    A comparison is made between static headspace analysis and stir bar sorptive extraction (SBSE) for the quantitative determination of furan. The SBSE technique was optimised and evaluated using two example food matrices (coffee and jarred baby food). The use of the SBSE technique in most cases, gave comparable results to the static headspace method, using the method of standard additions with d 4 -labelled furan as an internal standard. Using the SBSE method, limits of detection down to 2 ng g -1 were achieved, with only a 1 h extraction. The method was performed at ambient temperatures, thus eliminating the possibility of formation of furan during extraction.

  11. Investigation of Thermochemistry Associated with the Carbon–Carbon Coupling Reactions of Furan and Furfural Using ab Initio Methods

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Cong; Assary, Rajeev S.; Curtiss, Larry A.

    2014-06-26

    Upgrading of furan and small oxygenates obtained from the decomposition of cellulosic materials via formation of carbon-carbon bonds is critical to effective conversion of biomass to liquid transportation fuels. Simulation-driven molecular level understanding of carbon-carbon bond formation is required to design efficient catalysts and processes. Accurate quantum chemical methods are utilized here to predict the reaction energetics for conversion of furan (C4H4O) to C5-C8 ethers and the transformation of furfural (C5H6O2) to C13-C26 alkanes. Furan, can be coupled with various C1 to C4 lower molecular weight carbohydrates obtained from the pyrolysis via Diels-Alder type reactions in the gas phase to produce C5-C8 cyclic ethers. The computed reaction barriers for these reactions (~25 kcal/mol) are lower than the cellulose activation or decomposition reactions (~50 kcal/mol). Cycloaddition of C5-C8 cyclo-ethers with furans can also occur in the gas phase, and the computed activation energy is similar to that of the first Diels-Alder reaction. Furfural, obtained from biomass, can be coupled with aldehydes or ketones with α-hydrogen atoms to form longer chain aldol products and these aldol products can undergo vapor phase hydrocycloaddition (activation barrier of ~20 kcal/mol) to form the precursors of C26 cyclic hydrocarbons. These thermochemical studies provide the basis for further vapor phase catalytic studies required for upgrading of furans/furfurals to longer chain hydrocarbons.

  12. Synthesis and characterization of anionic rare-earth metal amides stabilized by phenoxy-amido ligands and their catalytic behavior for the polymerization of lactide.

    Science.gov (United States)

    Lu, Min; Yao, Yingming; Zhang, Yong; Shen, Qi

    2010-10-28

    A dianionic phenoxyamido ligand was the first to be used to stabilize organo-rare-earth metal amido complexes. Amine elimination reaction of Nd[N(TMS)(2)](3)(μ-Cl)Li(THF)(3) (TMS = SiMe(3)) with aminophenol [HNOH] {[HNOH] = N-p-methylphenyl(2-hydroxy-3,5-di-tert-butyl)benzylamine} in a 1 : 1 molar-ratio gave the anionic phenoxyamido neodymium amide [NO](2)Nd[N(TMS)(2)][Li(THF)](2) (2) in a low isolated yield. A further study revealed that the stoichiometric reactions of Ln[N(TMS)(2)](3)(μ-Cl)Li(THF)(3) with the lithium aminophenoxy [HNOLi(THF)](2) (1) in tetrahydrofuran (THF) gave the anionic rare-earth metal amido complexes [NO](2)Ln[N(TMS)(2)][Li(THF)](2) [Ln = Nd (2), Sm (3), Yb (4), Y (5)] in high isolated yields. All of these complexes are fully characterized. X-Ray structure determination revealed that complex 1 has a solvated dimeric structure, and complexes 2-5 are isostructural, and have solvated monomeric structures. Each of the rare-earth metal ions is coordinated by two oxygen atoms and two nitrogen atoms from two phenoxyamido ligands and one nitrogen atom from the N(TMS)(2) group to form a distorted trigonal bipyramidal geometry. Each of the lithium atoms in complexes 2-5 is coordinated with one oxygen atom and one nitrogen atom from two different phenoxyamido groups, and one oxygen atom from one THF molecule to form a trigonal planar geometry. Furthermore, the catalytic behavior of complexes 2-5 for the ring-opening polymerization of l-lactide was explored.

  13. Straightforward Entry toward Highly Substituted 2,3-Dihydrobenz[ b]oxepines by Ring Expansion of Benzopyryliums with Donor-Acceptor Diazo Compounds.

    Science.gov (United States)

    Courant, Thibaut; Pasco, Morgane; Lecourt, Thomas

    2018-05-04

    Ylide-type reactivity of diazo compounds is exploited in a new way to prepare benzo[ b]oxepines thanks to the formation of three chemical bonds and two contiguous and highly substituted stereocenters in a single pot. This cationic reaction cascade first involves addition of a donor-acceptor-substituted diazo compound to a benzopyrylium. Selective 1,2 migration of the endocyclic C-C bond then results in a ring-expansion and generates a second oxocarbenium that is trapped by a nucleophile added sequentially.

  14. An experimental and kinetic investigation of premixed furan/oxygen/argon flames.

    Science.gov (United States)

    Tian, Zhenyu; Yuan, Tao; Fournet, Rene; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Battin-Leclerc, Frédérique; Zhang, Kuiwen; Qi, Fei

    2011-04-01

    The detailed chemical structures of three low-pressure (35 Torr) premixed laminar furan/oxygen/argon flames with equivalence ratios of 1.4, 1.8 and 2.2 have been investigated by using tunable synchrotron vacuum ultraviolet (VUV) photoionization and molecular-beam mass spectrometry. About 40 combustion species including hydrocarbons and oxygenated intermediates have been identified by measurements of photoionization efficiency spectra. Mole fraction profiles of the flame species including reactants, intermediates and products have been determined by scanning burner position with some selected photon energies near ionization thresholds. Flame temperatures have been measured by a Pt-6%Rh/Pt-30%Rh thermocouple. A new mechanism involving 206 species and 1368 reactions has been proposed whose predictions are in reasonable agreement with measured species profiles for the three investigated flames. Rate-of-production and sensitivity analyses have been performed to track the key reaction paths governing furan consumption for different equivalence ratios. Both experimental and modeling results indicate that few aromatics could be formed in these flames. Furthermore, the current model has been validated against previous pyrolysis results of the literature obtained behind shock waves and the agreement is reasonable as well.

  15. Organometallic derivatives of furan. LII. Synthesis of carbofunctional furylsilanes and their 1H, 13C, and 29Si NMR spectroscopic and quantum-chemical investigation

    International Nuclear Information System (INIS)

    Lukevits, E.; Erchak, N.P.; Castro, I.; Popelis, Yu.Yu.; Kozyrev, A.K.; Anoshkin, V.I.; Kovalev, I.F.

    1986-01-01

    Under the standard conditions for the synthesis of furan compounds it is possible to obtain the carbofunctional derivatives of silylated furfural with retention of the trimethylsilyl group in the ring. By NMR and CNDO/2 LCAO MO methods and also as a result of the investigation of the chemical characteristics of silylated furfural and its carbofunctional derivatives it was established that the introduction of a trimethylsilyl group at position 5 of the furan ring does not change the reactivity of the carbofunctional substituents at position 2. The electronic effects of the substituents are hardly transmitted through the furan ring at all. The effect of substituents in the carbofunctional furylsilanes on the electronic structure of the ring is additive

  16. Organochlorine pesticides, PCBs, dibenzodioxin, and furan concentrations in common snapping turtle eggs (Chelydra serpentina serpentina) in Akwesasne, Mohawk Territory, Ontario, Canada.

    Science.gov (United States)

    de Solla, S R; Bishop, C A; Lickers, H; Jock, K

    2001-04-01

    Subsamples of eight clutches of common snapping turtle eggs (Chelydra serpentina serpentina) were collected from four sites from the territory of the Mohawk Nation, Akwesasne, on the shore of the St. Lawrence River. Egg contents were analyzed for organochlorine pesticides, polychlorinated biphenyls (PCBs), dibenzodioxins, and furans. The sites were 2 to 13 km downstream from PCB-contaminated landfill sites. Maximum concentrations of total PCBs in snapping turtle clutches were extremely high, and ranged from 2 378.2 ng/g to 737 683 ng/g (wet weight) and are among the highest recorded in any tissue of a free-ranging animal. Similarly, in a pooled sample of eggs from all four sites, the summed concentrations of non-ortho PCBs (n = 6 congeners) was also very high at 54.54 ng/g and the summed dioxin and furan concentrations (n = 11 congeners) was 85.8 ng/g. Sum organochlorine pesticide levels varied from 28 to 2,264 ng/g among the four sites. The levels of PCBs found in turtle eggs exceed concentrations associated with developmental problems and reduced hatching success in snapping turtles and other species and also exceed the Canadian tissue residue guidelines for toxic equivalency concentrations. The extremely high levels of organochlorine contaminants demonstrate the high degree of contamination in the environment in the Akwesasne area.

  17. The effect of acid hydrolysis on the technological functional properties of pinhão (Araucaria brasiliensis starch Efeito da hidrólise ácida nas propriedades funcionais tecnológicas do amido de pinhão (Araucaria brasiliensis

    Directory of Open Access Journals (Sweden)

    Roberta Cruz Silveira Thys

    2013-02-01

    Full Text Available Technological functional properties of native and acid-thinned pinhão (seeds of Araucária angustifolia, Brazilian pine starches were evaluated and compared to those of native and acid-thinned corn starches. The starches were hydrolyzed (3.2 mol.L-1 HCl, 44 ºC, 6 hours and evaluated before and after the hydrolysis reaction in terms of formation, melting point and thermo-reversibility of gel starches, retrogradation (in a 30-day period and measurements every three days, paste freezing and thawing stability (after six freezing and thawing cycles, swelling power, and solubility. The results of light transmittance (% of pastes of native and acid-thinned pinhão starches was higher (lower tendency to retrogradation than that obtained for corn starches after similar storage period. Native pinhão starch (NPS presented lower syneresis than native corn starch (NCS when submitted to freeze-thaw cycles. The acid hydrolysis increased the syneresis of the two native varieties under storage at 5 ºC and after freezing and thawing cycles. The solubility of NPS was lower than that of native corn starch at 25, 50, and 70 ºC. However, for the acid-thinned pinhão starch (APS, this property was significantly higher (p As propriedades funcionais tecnológicas do amido nativo e modificado (hidrólise ácida de pinhão (Araucaria angustifólia foram comparadas às propriedades do amido nativo e ácido hidrolisado de milho. As espécies de amido foram hidrolisadas (3.2 mol.L-1 HCl, 44 ºC, 6 horas e avaliadas, antes e após a reação de hidrólise, de acordo com as análises de formação, fusão e termorreversão do gel, retrogradação (em um período de 30 dias, com medidas a cada 3 dias, estabilidade ao congelamento e descongelamento (após 6 ciclos de congelamento e descongelamento, poder de inchamento e índice de solubilidade. Os resultados obtidos demonstraram que o amido de pinhão apresenta menor tendência à retrogradação quando comparado ao amido

  18. Enhanced electrochemical performance of Ti substituted P2-Na2/3Ni1/4Mn3/4O2 cathode material for sodium ion batteries

    International Nuclear Information System (INIS)

    Zhao, Wenwen; Tanaka, Akinobu; Momosaki, Kyoko; Yamamoto, Shinji; Zhang, Fabi; Guo, Qixin; Noguchi, Hideyuki

    2015-01-01

    Highlights: • Ti substituted P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode was synthesized. • Structural and electrochemical properties of Na 2/3 Ni 1/4 Ti x Mn 3/4-x O 2 were studied. • Ti substituted cathodes exhibit enhanced cycleability and rate performance. • Ti substitution has impact on stabilizing the P2 structure during cycling. -- Abstract: Ti substituted P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode material with the composition of Na 2/3 Ni 1/4 Ti x Mn 3/4-x O 2 has been synthesized by solid state method. The influence of Ti substitution for Mn on the structure, morphology and electrochemical performances of P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 has been investigated. X-ray diffraction (XRD) results of Ti substituted sample show that they exhibit same diffraction patterns as those of pristine P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 . Progressive change in the lattice parameters of Ti substituted samples suggests that Mn was successfully substituted by Ti. In contrast to P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 which shows step-type voltage profiles, Ti substituted samples show sloping voltage profiles. Drastic capacity fade occurred for P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode, while Ti substituted cathodes still show high capacity retention over 92% after 25 cycles at the voltage range of 2.0-4.3 V. Even cycled at high upper cut-off voltage of 4.5 V, Ti=0.20 sample can deliver a reversible capacity of 140 mAhg −1 with the capacity retention over 92% after 25 cycles. Furthermore, Ti substituted cathodes exhibit enhanced rate capability over pristine P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode. Comparison of the Ex-situ XRD results of the cycled P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 and its substituted samples provides evidence that the improved electrochemical performance of Ti substituted cathodes would be attributed to the stabilization of the structure with Ti substitution

  19. Effects of furan derivatives and phenolic compounds on electricity generation in microbial fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Catal, Tunc [Department of Biological and Ecological Engineering, Oregon State University, 116 Gilmore Hall, Corvallis, OR 97331 (United States); Department of Wood Science and Engineering, Oregon State University, 102 97331, Corvallis, OR (United States); Department of Molecular Biology and Genetics, Istanbul Technical University, 34469-Maslak, Istanbul (Turkey); Fan, Yanzhen; Liu, Hong [Department of Biological and Ecological Engineering, Oregon State University, 116 Gilmore Hall, Corvallis, OR 97331 (United States); Li, Kaichang [Department of Wood Science and Engineering, Oregon State University, 102 97331, Corvallis, OR (United States); Bermek, Hakan [Department of Molecular Biology and Genetics, Istanbul Technical University, 34469-Maslak, Istanbul (Turkey)

    2008-05-15

    Lignocellulosic biomass is an attractive fuel source for MFCs due to its renewable nature and ready availability. Furan derivatives and phenolic compounds could be potentially formed during the pre-treatment process of lignocellulosic biomass. In this study, voltage generation from these compounds and the effects of these compounds on voltage generation from glucose in air-cathode microbial fuel cells (MFCs) were examined. Except for 5-hydroxymethyl furfural (5-HMF), all the other compounds tested were unable to be utilized directly for electricity production in MFCs in the absence of other electron donors. One furan derivate, 5-HMF and two phenolic compounds, trans-cinnamic acid and 3,5-dimethoxy-4-hydroxy-cinnamic acid did not affect electricity generation from glucose at a concentration up to 10 mM. Four phenolic compounds, including syringaldeyhde, vanillin, trans-4-hydroxy-3-methoxy, and 4-hydroxy cinnamic acids inhibited electricity generation at concentrations above 5 mM. Other compounds, including 2-furaldehyde, benzyl alcohol and acetophenone, inhibited the electricity generation even at concentrations less than 0.2 mM. This study suggests that effective electricity generation from the hydrolysates of lignocellulosic biomass in MFCs may require the employment of the hydrolysis methods with low furan derivatives and phenolic compounds production, or the removal of some strong inhibitors prior to the MFC operation, or the improvement of bacterial tolerance against these compounds through the enrichment of new bacterial cultures or genetic modification of the bacterial strains. (author)

  20. Effects of furan derivatives and phenolic compounds on electricity generation in microbial fuel cells

    Science.gov (United States)

    Catal, Tunc; Fan, Yanzhen; Li, Kaichang; Bermek, Hakan; Liu, Hong

    Lignocellulosic biomass is an attractive fuel source for MFCs due to its renewable nature and ready availability. Furan derivatives and phenolic compounds could be potentially formed during the pre-treatment process of lignocellulosic biomass. In this study, voltage generation from these compounds and the effects of these compounds on voltage generation from glucose in air-cathode microbial fuel cells (MFCs) were examined. Except for 5-hydroxymethyl furfural (5-HMF), all the other compounds tested were unable to be utilized directly for electricity production in MFCs in the absence of other electron donors. One furan derivate, 5-HMF and two phenolic compounds, trans-cinnamic acid and 3,5-dimethoxy-4-hydroxy-cinnamic acid did not affect electricity generation from glucose at a concentration up to 10 mM. Four phenolic compounds, including syringaldeyhde, vanillin, trans-4-hydroxy-3-methoxy, and 4-hydroxy cinnamic acids inhibited electricity generation at concentrations above 5 mM. Other compounds, including 2-furaldehyde, benzyl alcohol and acetophenone, inhibited the electricity generation even at concentrations less than 0.2 mM. This study suggests that effective electricity generation from the hydrolysates of lignocellulosic biomass in MFCs may require the employment of the hydrolysis methods with low furan derivatives and phenolic compounds production, or the removal of some strong inhibitors prior to the MFC operation, or the improvement of bacterial tolerance against these compounds through the enrichment of new bacterial cultures or genetic modification of the bacterial strains.

  1. The reactions of anthronylidene carbene with some heterocyclic compounds

    International Nuclear Information System (INIS)

    Divisia, Bernadette

    1970-01-01

    The action of the anthronylidene carbene, generated by photochemical decomposition of 9-diazo 10-anthron, on four heterocyclic compounds (furan, thiophene, 1-methyl-pyrrole and 2,5-dihydrofuran) has been examined. Two classical carbene reactions have been observed: the addition on double bond (furan, thiophene, 1-methylpyrrole) and hydrogen atom abstraction of the heterocyclic compound (2,5-dihydrofuran). In the case of furan and thiophene, the cyclo-propanic compound resulting from the addition is spontaneously transformed into an ethylenic derivative by valence isomerization. The furan derivative undergoes a cis-trans isomerization, while the thiophene one undergoes an extra carbene attack. In the case of 1-methylpyrrole, the corresponding cyclo-propanic compound undergoes a ring cleavage, followed by a hydrogen atom migration leading to the formation of a substituted anthron. Only an allylic hydrogen atom selective abstraction of heterocyclic compound takes place in the reaction of anthronylidene carbene with 2,5-dihydrofuran. The asymmetrical coupling of radicals so obtained yields the corresponding substituted anthron. (author) [fr

  2. Broadband Microwave Study of Reaction Intermediates and Products Through the Pyrolysis of Oxygenated Biofuels

    Science.gov (United States)

    Abeysekera, Chamara; Hernandez-Castillo, Alicia O.; Fritz, Sean; Zwier, Timothy S.

    2017-06-01

    The rapidly growing list of potential plant-derived biofuels creates a challenge for the scientific community to provide a molecular-scale understanding of their combustion. Development of accurate combustion models rests on a foundation of experimental data on the kinetics and product branching ratios of their individual reaction steps. Therefore, new spectroscopic tools are necessary to selectively detect and characterize fuel components and reactive intermediates generated by pyrolysis and combustion. Substituted furans, including furanic ethers, are considered second-generation biofuel candidates. Following the work of the Ellison group, an 8-18 GHz microwave study was carried out on the unimolecular and bimolecular decomposition of the smallest furanic ether, 2-methoxy furan, and it`s pyrolysis intermediate, the 2-furanyloxy radical, formed in a high-temperature pyrolysis source coupled to a supersonic expansion. Details of the experimental setup and analysis of the spectrum of the radical will be discussed.

  3. Avaliação do uso de amidos aniônicos hidrolisados como estabilizantes em nanocápsulas poliméricas para formulações tópicas

    Directory of Open Access Journals (Sweden)

    Ester P. dos Santos

    2013-01-01

    Full Text Available A proposta deste trabalho foi introduzir amidos modificados (aniônicos hidrolisados como tensoativos em uma formulação para a encapsulação da benzofenona-3 com uma matriz polimérica de poli(ε-caprolactona (PCL, avaliando a influência deste componente nas características físico-químicas das nanopartículas. As nanopartículas foram preparadas com a técnica de deposição interfacial do polímero pré-formado, empregando-se um planejamento de experimentos de mistura. Previamente, os amidos foram hidrolisados via processo enzimático e medidas de tensão superficial foram realizadas para avaliar a capacidade tensoativa das soluções aquosas dos amidos hidrolisados para aplicação nas formulações de nanocápsulas. Os resultados indicaram que os amidos avaliados podem ser empregados como tensoativos nas formulações, sem alterar significativamente propriedades, como diâmetro, polidispersão e percentual de encapsulação.

  4. Effect of enzymatic hydrolysis on some physicochemical properties of root and tuber granular starches Efeito da hidrólise enzimática sobre algumas propriedades físico-químicas de amidos de raízes e tubérculos

    Directory of Open Access Journals (Sweden)

    Thaís de Souza Rocha

    2010-06-01

    Full Text Available Enzymatic hydrolysis of granular starch is an important tool to provide information about granule structure. Cassava, sweet potato, Peruvian carrot, and potato starches were hydrolyzed by bacterial α-amylase at 37 °C for 48 hours, and the physicochemical properties of the residues from hydrolysis were determined. Cassava starch was the most susceptible to enzyme displaying 20.9% of hydrolysis, whereas potato starch was the most resistant with 5.9%. The granule average size varied from 10.8 to 23.4 μm for Peruvian carrot and potato starches, respectively. With the use of SEM, a smooth granule surface was observed for all native starches. Cassava and sweet potato starches displayed an A-type X-ray diffraction pattern, while Peruvian carrot and potato starches showed a B-type pattern. After hydrolysis, cassava, sweet potato, and Peruvian carrot starches showed some well degraded granules, whereas potato starch presented a slight sign of degradation. The amylose content of the starches decreased with hydrolysis for cassava, sweet potato, and Peruvian carrot starches and was kept unchanged for the potato starch. As expected, intrinsic viscosity and pasting properties decreased for all hydrolyzed starches. There is no difference between thermal properties of native and hydrolyzed starches. These results suggested that hydrolysis occurred in amorphous and crystalline areas of the granules. The B type diffraction pattern in conjunction with the big granule size of the potato starch may have contributed to the greatest resistance of this starch to hydrolysis.A hidrólise enzimática do amido pode fornecer informações importantes sobre sua estrutura granular. Amidos de mandioca, batata-doce, mandioquinha-salsa e batata foram hidrolisados por α-amilase bacteriana a 37 °C durante 48 horas, e algumas propriedades físico-químicas dos resíduos da hidrólise foram determinadas. O amido de mandioca foi o mais suscetível à enzima com 20,9% de hidr

  5. Synthesis of aryl-substituted 5-[18F]fluoroalkylbenzamides: High affinity ligands for dopamine D-2 studies

    International Nuclear Information System (INIS)

    Mathis, C.A.; Bishop, J.E.; Gerdes, J.M.; Faggin, B.; Mailman, R.

    1990-01-01

    Recent studies of the structure-activity relationship of benzamides have shown that the 2,3-dimethoxy substitution pattern of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dimethoxy-5-iodobenzamide (PDB) resulted in a potent D-2 antagonist. Based upon these results and the concept that the potency of receptor ligands can be preserved when aromatic halogen substituents are replaced by fluoroalkyl functional groups, the authors synthesized a series of aryl-substituted fluoroalkyl PDBs and salicylamides. Synthetic pathways and an in vivo study in rats are outlined

  6. Theoretical study of disorder in Ti-substituted La2Zr2O7

    International Nuclear Information System (INIS)

    Chartier, Alain; Meis, Constantin; Weber, William J.; Corrales, L. Rene

    2002-01-01

    Pyrochlores have the striking feature that their radiation resistance is highly dependent on their composition. In this work, the propensity of a pyrochlore to transform to a cation-disordered structure and the influence of titanium ions is ascertained from the mechanisms of defect formation. A detailed study of defect formation and migration activation energies in Ti-substituted La 2 Zr 2 O 7 is carried out by modern theoretical computational methods that include the use of a classical interatomic potential with a modified shell model to capture the effects of local charge transfer. The results show that La 2 Zr 2 O 7 has a tendency towards cation disorder, whereas, substitution of Zr with Ti makes this tendency energetically less favorable

  7. Substituent effects on the relaxation dynamics of furan, furfural and β-furfural: a combined theoretical and experimental approach.

    Science.gov (United States)

    Oesterling, Sven; Schalk, Oliver; Geng, Ting; Thomas, Richard D; Hansson, Tony; de Vivie-Riedle, Regina

    2017-01-18

    For the series furan, furfural and β-furfural we investigated the effect of substituents and their positioning on the photoinduced relaxation dynamics in a combined theoretical and experimental approach. Using time resolved photoelectron spectroscopy with a high intensity probe pulse, we can, for the first time, follow the whole deactivation process of furan through a two photon probe signal. Using the extended 2-electron 2-orbital model [Nenov et al., J. Chem. Phys., 2011, 135, 034304] we explain the formation of one central conical intersection and predict the influence of the aldehyde group of the derivatives on its geometry. This, as well as the relaxation mechanisms from photoexcitation to the final outcome was investigated using a variety of theoretical methods. Complete active space self consistent field was used for on-the-fly calculations while complete active space perturbation theory and coupled cluster theory were used to accurately describe critical configurations. Experiment and theory show the relaxation dynamics of furfural and β-furfural to be slowed down, and together they disclose an additional deactivation pathway, which is attributed to the n O lonepair state introduced with the aldehyde group.

  8. Potential protective effect of L-cysteine against the toxicity of acrylamide and furan in exposed Xenopus laevis embryos: an interaction study.

    Science.gov (United States)

    Williams, John Russell; Rayburn, James R; Cline, George R; Sauterer, Roger; Friedman, Mendel

    2014-08-06

    The embryo toxicities of two food-processing-induced toxic compounds, acrylamide and furan, with and without added L-cysteine were examined individually and in mixtures using the frog embryo teratogenesis assay-Xenopus (FETAX). The following measures of developmental toxicity were used: (a) 96 h LC50, the median concentration causing 50% embryo lethality; (b) 96 h EC50, the median concentration causing 50% malformations of the surviving embryos; and (c) teratogenic index (96 h LC50/96 h EC50), an estimate of teratogenic risk. Calculations of toxic units (TU) were used to assess possible antagonism, synergism, or response addition of several mixtures. The evaluated compounds demonstrated counterintuitive effects. Furan had lower than expected toxicity in Xenopus embryos and, unlike acrylamide, does not seem to be teratogenic. However, the short duration of the tests may not show the full effects of furan if it is truly primarily genotoxic and carcinogenic. L-Cysteine showed unexpected properties in the delay of hatching of the embryos. The results from the interaction studies between combination of two or three components (acrylamide plus L-cysteine; furan plus L-cysteine; acrylamide plus furan; acrylamide plus furan and L-cysteine) show that furan and acrylamide seem to have less than response addition at 1:1 toxic unit ratio in lethality. Acrylamide and L-cysteine show severe antagonism even at low 19 acrylamide/1 L-cysteine TU ratios. Data from the mixture of acrylamide, furan, and L-cysteine show a slight antagonism, less than would have been expected from binary mixture exposures. Bioalkylation mechanisms and their prevention are discussed. There is a need to study the toxicological properties of mixtures of acrylamide and furan concurrently formed in heat-processed food.

  9. Efeito da fonte de amido e do manejo alimentar no controle da glicemia em cães com diabete mellitus naturalmente adquirida

    OpenAIRE

    Teshima, Eliana [UNESP

    2010-01-01

    A diabetes mellitus (DM) é uma das endocrinopatias mais comuns em cães, sendo o tratamento um desafio. As fibras dietéticas têm sido relatadas como benéficas no auxílio do controle glicêmico de cães diabéticos, mas nenhum trabalho faz referência aos efeitos de diferentes fontes de amido sobre a resposta glicêmica nesses animais. Neste trabalho, objetivou-se estudar os efeitos de duas diferentes fontes de amido (arroz e sorgo) em dietas com teor moderado de fibra sobre o controle glicêmico de ...

  10. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi_0_._9_8B_0_._0_2

    International Nuclear Information System (INIS)

    Sun, Hui; Lu, Xu; Morelli, Donald T.

    2016-01-01

    Boron-added CoSi, CoSi_0_._9_8B_0_._0_2, possesses a very high thermoelectric power factor of 60 μW cm"−"1 K"−"2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms is intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi_0_._9_8B_0_._0_2 has been studied. Here, we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands, while Ge substitution only shifts the Fermi level upward into the conduction band. Our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.

  11. Influence of New Sol-gel Refractory Coating on the Casting Properties of Cold Box and Furan Cores for Grey Cast iron

    DEFF Research Database (Denmark)

    Nwaogu, Ugochukwu Chibuzoh; Poulsen, T.; Bischoff, C

    2010-01-01

    New Sol-Gel coated sand cores made from coldbox and furan binder systems were investigated. The idea of the coating was to improve the surface quality of castings. Grey iron was cast on the cores in a sand casting process. The effect of the high temperature of the melt on the cores was assessed...... by measuring the heating curves. The viscosity of the coating, moisture content and the permeability of the cores were evaluated. The surface quality of the castings was investigated using SEM and OM. The results show that the moisture content of the cores affected the permeability. In furan cores the vapour...... transport zone (VTZ) when in contact with the melt is larger than it is in a coldbox which means the furan cores have higher moisture content. The new sol-gel coating has the potential for improving the surface quality of castings without negative effects on the graphite distribution. The surface...

  12. Structural studies on W6+ and Nd3+ substituted La2Mo2O9 materials

    International Nuclear Information System (INIS)

    Marrero-Lopez, David; Canales-Vazquez, Jesus; Zhou Wuzong; Irvine, John T.S.; Nunez, Pedro

    2006-01-01

    The structure of a series of new ionic conductors based in lanthanum molybdate (La 2 Mo 2 O 9 ) has been investigated using transmission electron microscopy (TEM), high-resolution X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The superstructure 2a c x3a c x4a c of the low temperature α-polymorph relative to the β-polymorph was confirmed by HRTEM imaging and electron diffraction. Furthermore, the effects of partial cation substitution in the La 2-x Nd x Mo 2 O 9 and La 2 Mo 2-y W y O 9 series have been also evaluated in the search of new clues to understand the structure and stabilisation of the high temperature and better conductor β-polymorph. The thermal analysis studies show that Nd-substitution does not stabilise completely the β-polymorph at room temperature, although no superstructure ordering was observed by both XRD and HRTEM. On the other hand, W-substitution stabilises the cubic β-polymorph for y>0.25, although, electron diffraction indicates a slight distortion from the cubic symmetry for low W-content. This distortion disappears as the W content increases and the Rietveld refinements gradually render better results

  13. High coercivity Gd-substituted Ba hexaferrites, prepared by chemical coprecipitation

    Science.gov (United States)

    Litsardakis, G.; Manolakis, I.; Serletis, C.; Efthimiadis, K. G.

    2008-04-01

    A series of Gd-substituted Ba hexaferrites with nominal formula (Ba1-xGdx)Oṡ5.25 Fe2O3 (x=0-0.30) were prepared by the chemical coprecipitation method from nitrate precursors and heating at T =800-1200°C for 2h. The samples have been examined by x-ray diffraction, vibrating-sample magnetometer, and scanning electron microscopy methods. Gd substituted samples form single phase materials with the M-type hexaferrite structure at all heating temperatures, in the range of x ⩽0.10-0.20. The saturation magnetization (at 1.8T) varies slightly with x in most cases and, for x =0.05-0.10, it increases up to 66.7Am2/kg, exceeding the value of the unsubstituted hexaferrite. A strong enhancement of the coercivity is observed for all substituted samples, with maximum values Hc=457kA/m for the single-phase x =0.10 sample annealed at 1000°C and Hc=477kA/m for the x =0.25 sample annealed at 1100°C which contains Fe2O3 and GdFeO3 impurities. As the variation of coercivity with either substitution rate (x ) or annealing temperature is not monotonic, three different factors may account for the high coercivities that are obtained: (a) an inhibition of grain growth due to the presence of Gd, (b) a possible inherent effect on magnetocrystalline anisotropy, especially for single phase samples, and (c) a microstructural effect of secondary phases.

  14. A study of polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs) and polychlorinated biphenyls (PCBs) in the livestock waste compost of Hong Kong, PR China

    International Nuclear Information System (INIS)

    Ng, Q.Y.C.; Chan, A.H.M.; Ma, S.W.Y.

    2008-01-01

    Composting is one of the waste disposal methods adopted for disposal of livestock waste in Hong Kong. The composting livestock waste normally undergoes 6-8 weeks fermentation, followed by 16-20 weeks maturation. The matured compost is sold as soil conditioner in the local market. In 2006, feedstock material and a time-series of compost samples were collected throughout the fermentation and maturation process from the Sha Ling Composting Plant in the New Territories. The feedstock material and compost samples were analyzed for contents of three unintentional persistent organic pollutants (POPs), i.e. dioxins/furans, dioxin-like PCBs and total PCBs. These POPs are unintentionally produced by-products of chemical industrial processes and combustion processes. Selected heavy metals were also analyzed, which served as conservative tracers to determine potential mass loss during the composting process. Levels of contamination by these POPs were found to be low in the matured compost for sale. The mean concentrations (lower-upper bound) of total dioxins/furans, total dioxin-like PCBs and total PCBs were 2.01-2.05 ng I-TEQ/kg dw, 0.04-0.05 ng WHO-TEQ/kg dw and 1.55-1.55 μg/kg dw, respectively. Progressively elevated levels of these POPs were observed in the compost samples during the fermentation process. Analysis of the congener profiles revealed that the heptaCDD and octaCDD were the main contributors to the observed increase in dioxin/furan content. The possible sources of dioxins/furans in the compost were discussed. The study results established a local dioxins/furans emission factor specific to the trade and provided a better estimate of the annual dioxins/furans emission for the livestock waste composting activity in Hong Kong

  15. The ecotoxicogenomic assessment of soil toxicity associated with the production chain of 2,5-furandicarboxylic acid (FDCA), a candidate bio-based green chemical building block

    NARCIS (Netherlands)

    Chen, G.; van Straalen, N.M.; Roelofs, D.

    2016-01-01

    2,5-Furan dicarboxylic acid (FDCA) is one of the top-12 value-added chemicals derived from biomass that may serve as a 'green' substitute for terephthalic acid (TPA) in polyesters. FDCA can be synthesized chemically from 5-(hydroxymethyl)furfural (HMF), which is produced from fructose or glucose. To

  16. Estabilidade de géis de amido de milho normal, ceroso e com alto teor de amilose adicionados de gomas guar e xantana durante os processos de congelamento e descongelamento Freeze-thaw stability of normal, waxy and high amylose corn starch gels with added guar and xanthan gums

    Directory of Open Access Journals (Sweden)

    Fernanda Hart Weber

    2008-06-01

    Full Text Available O objetivo do presente trabalho foi estudar os efeitos das gomas guar e xantana sobre a estabilidade dos géis de amido de milho normal, ceroso e com alto teor de amilose submetidos aos processos de congelamento e descongelamento. Os géis desses amidos, com concentração total de sólidos de 10% e adicionados das gomas (0,15; 0,50; 0,85 e 1%, foram submetidos a 5 ciclos de congelamento (20 horas a -18 °C e descongelamento (4 horas a 25 °C, com exceção dos géis com alto teor de amilose, que foram submetidos a apenas 1 ciclo, devido à perda da estrutura de gel. A determinação da sinérese (porcentagem de água liberada foi realizada pela diferença entre a massa inicial e a massa final das amostras. O gel de amido de milho normal liberou 74,45% de água, sendo que a adição de 1% da goma xantana reduziu significativamente a sinérese para 66,43%. A adição de 0,85 e 1% da goma xantana também reduziu a sinérese dos géis de amido ceroso. O menor teor de sinérese foi obtido com a utilização de 1% de goma xantana ao gel de amido de milho com alto teor de amilose, evidenciando a ação crioprotetora desta goma.The objective of the present work was to study the effects of guar and xanthan gums on the stability of normal, waxy and high amylose corn starch gels, submitted to freeze-thaw processes. The gels of these starches with a total solids content of 10% and added gums (0.15;0.50;0.85and1%, were submitted to 5 freezing (20 hours, -18 °C and thawing (4 hours, 25 °C cycles, with exception of the high amylose gels that were submitted to only 1 cycle. Syneresis (% water released was determined by the difference between the initial and final masses of the samples. The normal corn starch gel released 74.45% water and the addition of 1% xanthan gum significantly reduced syneresis to 66.43%. The incorporation of 0.85 and 1% xanthan gum also reduced syneresis of waxy starch gels. The lowest level of syneresis was reached with the use of 1

  17. Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

    Directory of Open Access Journals (Sweden)

    Mazen A. Eldeeb

    2018-02-01

    Full Text Available There is growing interest in the use of furans, a class of alternative fuels derived from biomass, as transportation fuels. This paper reviews recent progress in the characterization of its combustion properties. It reviews their production processes, theoretical kinetic explorations and fundamental combustion properties. The theoretical efforts are focused on the mechanistic pathways for furan decomposition and oxidation, as well as the development of detailed chemical kinetic models. The experiments reviewed are mostly concerned with the temporal evolutions of homogeneous reactors and the propagation of laminar flames. The main thrust in homogeneous reactors is to determine global chemical time scales such as ignition delay times. Some studies have adopted a comparative approach to bring out reactivity differences. Chemical kinetic models with varying degrees of predictive success have been established. Experiments have revealed the relative behavior of their combustion. The growing body of literature in this area of combustion chemistry of alternative fuels shows a great potential for these fuels in terms of sustainable production and engine performance. However, these studies raise further questions regarding the chemical interactions of furans with other hydrocarbons. There are also open questions about the toxicity of the byproducts of combustion.

  18. Dioxin and furan emissions from landfill gas-fired combustion units

    International Nuclear Information System (INIS)

    Caponi, F.R.; Wheless, E.; Frediani, D.

    1998-01-01

    The 1990 Federal Clean Air Act Amendments require the development of maximum achievable control technology standards (MACT) for sources of hazardous air pollutants, including landfill gas-fired combustion sources. The Industrial Combustion Coordinated Rulemaking (ICCR) Federal Advisory Committee is a group of stakeholders from the public and private sector whose charge is to develop recommendations for a unified set of federal toxic air emissions regulations. Specifically, the group will establish MACT standards for industrial-commercial-institutional combustion sources. The ICCR proceedings have given rise to considerable interest in potential dioxin and furan emissions from landfill gas-fired combustion units. In order to establish the potential of dioxin and furan emissions from this group of combustion sources, a world-wide literature search was conducted. A total of 22 references were evaluated. The references covered a wide range of test programs, testing methodologies and combustion equipment type. The most abundant data were for landfill gas-fired flares (shrouded and afterburners) and I.C. engines. Because of limitations in obtaining actual test reports with complete lab data and QA/QC results, and a lack of knowledge as to the exact types of waste received at the European landfills, the test data from these sources, for the purposes of this paper, are considered qualitative. The conclusion reached from review of the test data is that there is a potential for dioxin and furan emissions from landfill gas-fired combustion units, but at very low levels for well operated systems

  19. Effect of Sr substitution on superconductivity in Hg2(Ba1-ySry)2YCu2O8-d (part 1): a neutron powder diffraction study

    OpenAIRE

    Toulemonde, P.; Odier, P.; Bordet, P.; Floch, S. Le; Suard, E.

    2002-01-01

    The effect of Sr chemical pressure on superconductivity was investigated in Hg2(Ba1-ySry)2YCu2O8-d. The samples were synthesized at high pressure-high temperature from y = 0.0 to full substitution, y = 1.0. These Sr-substituted compounds are superconducting, without Ca doping on the Y site, and show an increasing Tc with Sr, reaching 42 K for y = 1.0. A detailed neutron powder diffraction study compares the structural changes induced by this chemical Sr/Ba substitution and the mechanical pres...

  20. Optimization of a blanching process to reduce the furan level of potato crisps without increasing their oil uptake

    DEFF Research Database (Denmark)

    Mariotti, Salomé; Granby, Kit

    , the objective of this work was to reduce the level of furan in crisps without increasing their oil uptake. To accomplish this purpose a central composite design was used to study the effect of blanching time and temperature on the reduction of reducing sugars, one of furan precursors, in potato slices. After...... levels of both reducing sugar and furan, crisps pre-treated under these conditions presented a significant increasing in their oil content. On the other hand, blanching at temperature of 65° for 10 min was a 30% more efficient (30 %) in the extraction of reducing sugars compared to blanching at lower...

  1. Synthesis of D-fructose-derived spirocyclic 2-substituted-2-oxazoline ribosides

    Directory of Open Access Journals (Sweden)

    Madhuri Vangala

    2015-11-01

    Full Text Available The TMSOTf-mediated synthesis of β-configured spirocyclic 2-substituted-2-oxazoline ribosides was achieved using a “Ritter-like” reaction in toluene through nucleophilic addition of electron-rich nitriles to the oxacarbenium ion intermediate of 1,2;3,4-di-O-isopropylidene-β-D-psicofuranose derivatives with concomitant intramolecular trapping of the C2 hydroxymethyl group on the electrophilic nitrilium carbon. These carbohydrate-derived spirooxazolines are stable and were obtained in good yield with high stereoselectivity due to the conformational rigidity imparted by the 3,4-isopropylidene group.

  2. Automobile exhausts as a source for the environmental pollution by polychloro-dibenzodioxins and -dibenzofurans

    International Nuclear Information System (INIS)

    Ballschmiter, K.; Bacher, R.; Riehle, U.; Swerev, M.

    1990-01-01

    This research project was focussed on the analysis of polyhalogenated dibenzodioxins (''dioxins'') and dibenzofurans (''furans'') emitted through automobile exhausts (halogen = chlorine or bromine). High-resolution selective capillary gas chromatography coupled with mass-selective detection was used. The two compound groups show basic differences in pattern and concentrations for traffic-related samples. In the ''dioxin''-series the higher-chlorinated dibenzodioxins (increasing from Cl 4 to Cl 8 ) are preferentially found, in contrast to the ''furane'', present in higher amounts, for which the lower-halogenated dibenzofurans are more important (decreasing from Cl 1 to Cl 6 and from Br 1 to Br 4 ). The distribution of the dioxin- and furan isomers produced corresponds closely to the so-called ''2,6-type'' pattern which is due to a retarded oxidation and/or a stabilization of phenoxy-intermediates containing the 2,6- or 2,4,6-substitution pattern. To what extent a particular dioxin/furan immission is due to automobile-related emissions can, in the light of the present results, be estimated only by taking several factors into account; source remoteness, the predominance of brominated or partly brominated dibenzofurans over the chlorinated congeners, the presence of other, also halogenated, polycyclic aromatics related to the automobile combustion engine. Areas close to traffic are primarily or completely influenced by the ''dioxin''-emissions of automobiles. For the calculation of the toxic equivalents (TE) for traffic-related emissions, the most important of the ''2,3,7,8''-substituted congeners are the furans 2,3,7,8-Cl 4 DF (F 83) and 2,3,4,7,8-Cl 5 DF (F 114) as well as the dioxins 1,2,3,4,6,7,8-Cl 7 DD (D 73) and octachlorodibenzodioxin (D-75). (orig.) [de

  3. Caracterização do grânulo de amido de bananas (Musa AAA-Nanicão e Musa AAB-Terra Characterization of starch granules from bananas Musa AAA-Nanicão and Musa AAB-Terra

    Directory of Open Access Journals (Sweden)

    M.C.J. Freitas

    2005-06-01

    Full Text Available O amido de bananas tem sido pesquisado na área de nutrição a partir da introdução do conceito de Amido Resistente. O amido de Musa AAA-Nanicão e Musa AAB-Terra foram caracterizados quanto as suas respostas fisiológicas [12]. Em continuidade, o presente trabalho estudou características físicas e morfológicas dos grânulos de amido de ambas as espécies de banana comparando-as com amido nativo de milho comercial. O amido de bananas foi extraído segundo CHIANG, CHU & CHU [3]. A morfologia dos grânulos foi realizada após tratamento enzimático in vitro a 37°C/24h com alfa-amilase pancreática. Foram efetuados os respectivos amilogramas e difractogramas de raios-X. Os grânulos de amido da Musa Tipo AAA-Nanicão apresentaram comprimento entre 30-40µm. Em Musa AAB-Terra, os grânulos, também ovais e alongados, eram um pouco menores, 20-30µm. A corrosão enzimática in vitro iniciava-se sobre a superfície anteriormente lisa e formavam estrias superficiais e apicais. A Microscopia Eletrônica de Varredura (MEV mostrou que a hidrólise in vitro por 24 horas foi pequena e ocorria sobretudo nas camadas amorfas dos grânulos de ambas as espécies. O padrão de corrosão demonstrou-se distinto daquele ocorrido no amido de milho. As suspensões de amido de bananas ao viscosímetro demonstraram forte capacidade de hidratação e menor capacidade de retrogradação em relação ao milho, sobretudo do amido de Musa Tipo AAA-Nanicão; o amido de Musa Tipo AAB-Terra apresentou maior estabilidade de pasta. Na análise de difração de raios-X, os grânulos de bananas apresentaram padrão tipo B e C para Musa Tipo AAA-Nanicão e Musa Tipo AAB-Terra, respectivamente. Conclui-se que os amidos de Musa AAA-Nanicão e Musa AAB-Terra são estruturalmente distintos, justificando as respostas fisiológicas distintas encontradas posteriormente pelos mesmos autores. As distinções das propriedades físicas e bioquímicas obtidas para os grânulos, embora

  4. Copper-doped silica cuprous sulfate: A highly efficient heterogeneous nano-catalyst for one-pot three-component synthesis of 1-H-2-substituted benzimidazoles from 2-bromoanilines, aldehydes, and [bmim]N3

    Directory of Open Access Journals (Sweden)

    Somayeh Behrouz

    2018-03-01

    Full Text Available A facile and highly efficient one-pot three-component synthesis of 1-H-2-substituted benzimidazole derivatives from readily available substrates catalyzed by copper-doped silica cuprous sulfate (CDSCS is described. In this method, treatment of diverse 2-bromoanilines, aldehydes, and [bmim]N3 in DMF at 110 °C in the presence of CDSCS as a highly efficient heterogeneous nano-catalyst affords the corresponding 1-H-2-substituted benzimidazoles in good to excellent yields. The CDSCS is an inexpensive and stable nano-catalyst that could be simply prepared, recovered and reused for many consecutive reaction runs without significant loss of its activity.

  5. Facile phase transfer of hydrophobic nanoparticles with poly(ethylene glycol) grafted hyperbranched poly(amido amine)

    International Nuclear Information System (INIS)

    Ji Minglei; Yang Wuli; Ren Qingguang; Lu Daru

    2009-01-01

    In order to enhance the dispersion ability of hydrophobic nanoparticles in water while maintaining their unique properties, we utilized poly(ethylene glycol) grafted hyperbranched poly(amido amine) (h-PAMAM-g-PEG) to modify three types of hydrophobic nanoparticle, CdSe, Au, and Fe 3 O 4 , and transferred them into water to extend their applications in biology. Considering the large amounts of amino groups in hyperbranched poly(amido amine) (h-PAMAM) polymer, complexation interaction between h-PAMAM-g-PEG copolymer and nanoparticles was achieved and ligand exchange between the copolymers and original small molecules ligands occurred. The transferred nanoparticles could be easily dispersed in water with better stability, and their unique properties, such as fluorescence, surface plasmon resonance, and superparamagnetism, were well maintained in the ligand exchange process. In addition, increasing the number of grafted PEG showed a negative effect on the ligand exchange process. Due to the existence of h-PAMAM-g-PEG ligands, the stabilized nanoparticles have improved stability in aqueous and ionic solutions. In the case of CdSe nanoparticles, the h-PAMAM-g-PEG layer leads to a lower cytotoxicity when compared with bare CdSe particles, and they could be directly used in bioimaging.

  6. Synthesis of quaternary derivatives of ortho-coco di-amido toluene and investigation of these compounds as cationic bitumen emulsifier

    Energy Technology Data Exchange (ETDEWEB)

    Hassanzadeh, Masoumeh; Tayebi, Leila; Dezfouli, Hedieh; Kambarani, Masoud; Avval, Parviz Ahmadi [Tehran Univ. (Iran, Islamic Republic of). ACECR, Designing Chemical Process Research Group

    2012-05-15

    Bitumen emulsions are preferred over conventional pavement systems due to their biologically and environmentally acceptable formulation, safety, low viscosity, storage stability, and cost effectiveness. The present investigation deals with the systematic study to synthesize ortho-cocodi-amido toluene and four quaternary derivatives by amidation of coconut oil and ortho toluene diamine (OTD), followed by quaternization with formaldehyde, formic acid mixture, and acrylonitrile, resulted in a new quaternary compound useful as cationic emulsifier in bitumen emulsions. The roles of temperature and reaction time in determining optimum conditions were investigated as well. Emulsifying behavior of these quaternary compounds was studied by sieve residue test, settlement and storage stability test of emulsified asphalt, and water solubility. The results show that the acrylonitrile imidazolinium derivative of o-cocodi-amido toluene (VI) can be used as a rapid-medium setting emulsifier. (orig.)

  7. Adição de inulina em géis de amido e leite utilizando planejamento experimental de misturas Addition of inulin to starch and milk gels using an experimental mixture design

    Directory of Open Access Journals (Sweden)

    Luciana Pereira Lobato

    2012-06-01

    Full Text Available O objetivo deste estudo foi investigar o efeito combinado de inulina, amido e leite nas características texturais de géis e de propriedades de pastas empregando o planejamento experimental de misturas. Foram avaliados o perfil viscoamilográfico e a firmeza dos géis. Em todos os parâmetros avaliados, os modelos ajustados mostraram-se influenciados pela presença de inulina, amido e leite, assim como de algumas interações desses ingredientes. A viscosidade máxima e a viscosidade final foram influenciadas positivamente pela concentração de amido e negativamente pelas interações deste com leite e com inulina. A firmeza dos géis aumentou com o aumento do teor de amido, mas a interação amido-inulina foi antagônica, contribuindo para diminuir essa característica. O efeito da interação entre amido e inulina pode ser explicado pelo fato de que a inulina possui maior afinidade pela água, em relação ao amido, ou, ainda, por agir como diluente, fazendo com que haja menor contato entre os grânulos e/ou cadeias de amido. A partir dos resultados encontrados neste estudo, verifica-se que a inclusão da inulina em sistemas amido-leite pode influenciar nas características texturais e de viscosidade, possivelmente refletindo-se nas características sensoriais. Com isso, a avaliação das interações com outros ingredientes da formulação torna-se essencial.The objective of this work was to investigate the combined effect of milk, starch and inulin on the textural characteristics of gels and on the pasting properties, using an experimental mixture design. Gel firmness and the amylographic profile were evaluated. For all the parameters evaluated, the fitted models were shown to be influenced by the presence of inulin, starch and milk, as also some of the interactions between the ingredients. The maximum viscosity and final viscosity were positively influenced by the starch concentration and negatively by interactions between the starch and

  8. High temperature superconductivity in Zn and Mn substituted (Tl,Cr)Sr2CaCu2O7

    International Nuclear Information System (INIS)

    Lo, S.V.; Abd Shukor, R.

    1999-01-01

    Samples with nominal starting composition (TICr 0 .15)Sr 2 (Ca 1-x M x )Cu 2 O 7 (TI-1212) for x=0 - 0.7 with M= Zn and Mn have been prepared and investigated by powder X-ray diffraction (XRD) and electrical resistance measurements. All sample showed a mixed phase of 1212 and 1201. Dominant 1212-phase was observed for x=0.0-0.5 and x=0.0-0.4, for Zn and Mn series, respectively. The superconducting transition temperature was suppressed when Zn and Mn are substituted at the Ca site. For the Zn series the normal state behavior is metallic throughout the doping range. For the Mn series the normal state behavior is metallic for 0.1≤x≥0.3 and semiconducting like x>0.3. The suppression of T c and formation of the TI-1212 phase are discussed in terms of the ionic radius and valence state of the substituted elements. (author)

  9. Influence of the Hardener on the Emission of Harmful Substances from Moulding Sands with Furan Resin in the Pyrolysis Process

    Directory of Open Access Journals (Sweden)

    Holtzer M.

    2016-03-01

    Full Text Available The furan resin offers advantages such as high intensity, low viscosity, good humidity resistance and is suitable for cast different casting alloys: steel, cast iron and non-ferrous metal casting. For hardening furan resins are used different hardeners (acid catalysts. The acid catalysts have significant effects on the properties of the cured binder (e,g. binding strength and thermal stability [1 - 3]. Investigations of the gases emission in the test foundry plant were performed according to the original method developed in the Faculty of Foundry Engineering, AGH UST. The analysis is carried out by the gas chromatography method with the application of the flame-ionising detector (FID (TRACE GC Ultra THERMO SCIENTIFIC.

  10. Preliminary Research on Granulation Process of Dust Waste from Reclamation Process of Moulding Sands with Furan Resin

    Directory of Open Access Journals (Sweden)

    J. Kamińska

    2012-09-01

    Full Text Available The results of investigations of the granulation process of foundry dusts generated in the dry mechanical reclamation process of usedsands, where furan resins were binders are presented in the paper. Investigations concerned producing of granules of the determineddimensions and strength parameters.Granules were formed from the dusts mixture consisting in 50 mass% of dusts obtained after the reclamation of the furane sands and in50 mass % of dusts from sands with bentonite. Dusts from the bentonite sands with water were used as a binder allowing the granulation of after reclamation dusts from the furane sands.The following parameters of the ready final product were determined: moisture content (W, shatter test of granules (Wz performeddirectly after the granulation process and after 1, 3, 5, 10 days and nights of seasoning, water-resistance of granules after 24 hours of being immersed in water, surface porosity ep and volumetric porosity ev. In addition the shatter test and water-resistance of granulate dried at a temperature of 105oC were determined.Investigations were performed at the bowl angle of inclination 45o, for three rotational speeds of the bowl being: 10, 15, 20 rpm.For the speed of 10 rpm the granulation tests of dusts mixture after the preliminary mixing in the roller mixer and with the addition ofwater-glass in the amount of 2% in relation to the amount of dust were carried out.The obtained results indicate that the granulator allows to obtain granules from dusts originated from the reclamations of mouldingsands with the furane resin with an addition of dusts from the bentonite sands processing plants.

  11. Poly(Neopentyl Glycol Furanoate: A Member of the Furan-Based Polyester Family with Smart Barrier Performances for Sustainable Food Packaging Applications

    Directory of Open Access Journals (Sweden)

    Laura Genovese

    2017-09-01

    Full Text Available In the last decade, there has been an increased interest from the food packaging industry toward the development and application of bioplastics, to contribute to the sustainable economy and to reduce the huge environmental problem afflicting the planet. In the present work, we focus on a new furan-based polyester, poly(neopentyl glycol 2,5-furanoate (PNF to be used for sustainable food packaging applications. The aromatic polyester was successfully synthesized with high molecular weight, through a solvent-free process, starting directly from 2,5-furandicarboxylic acid. PNF was revealed to be a material with good thermal stability, characterized by a higher Tg and Tm and a lower RAF fraction compared to poly(propylene 2,5-furanoate (PPF, ascribable to the two methyl side groups present in PNF glycol-sub-unit. PNF’s mechanical characteristics, i.e., very high elastic modulus and brittle fracture, were found to be similar to those of PPF and PEF. Barrier properties to different gases, temperatures and relative humidity were evaluated. From the results obtained, PNF was showed to be a material with very smart barrier performances, significantly superior with respect to PEF’s ones. Lastly, PNF’s permeability behavior did not appreciably change after contact with food simulants, whereas it got worse with increasing RH, due to the polar nature of furan ring.

  12. Poly(Neopentyl Glycol Furanoate): A Member of the Furan-Based Polyester Family with Smart Barrier Performances for Sustainable Food Packaging Applications.

    Science.gov (United States)

    Genovese, Laura; Lotti, Nadia; Siracusa, Valentina; Munari, Andrea

    2017-09-04

    In the last decade, there has been an increased interest from the food packaging industry toward the development and application of bioplastics, to contribute to the sustainable economy and to reduce the huge environmental problem afflicting the planet. In the present work, we focus on a new furan-based polyester, poly(neopentyl glycol 2,5-furanoate) (PNF) to be used for sustainable food packaging applications. The aromatic polyester was successfully synthesized with high molecular weight, through a solvent-free process, starting directly from 2,5-furandicarboxylic acid. PNF was revealed to be a material with good thermal stability, characterized by a higher T g and T m and a lower RAF fraction compared to poly(propylene 2,5-furanoate) (PPF), ascribable to the two methyl side groups present in PNF glycol-sub-unit. PNF's mechanical characteristics, i.e., very high elastic modulus and brittle fracture, were found to be similar to those of PPF and PEF. Barrier properties to different gases, temperatures and relative humidity were evaluated. From the results obtained, PNF was showed to be a material with very smart barrier performances, significantly superior with respect to PEF's ones. Lastly, PNF's permeability behavior did not appreciably change after contact with food simulants, whereas it got worse with increasing RH, due to the polar nature of furan ring.

  13. Poly(Neopentyl Glycol Furanoate): A Member of the Furan-Based Polyester Family with Smart Barrier Performances for Sustainable Food Packaging Applications

    Science.gov (United States)

    Munari, Andrea

    2017-01-01

    In the last decade, there has been an increased interest from the food packaging industry toward the development and application of bioplastics, to contribute to the sustainable economy and to reduce the huge environmental problem afflicting the planet. In the present work, we focus on a new furan-based polyester, poly(neopentyl glycol 2,5-furanoate) (PNF) to be used for sustainable food packaging applications. The aromatic polyester was successfully synthesized with high molecular weight, through a solvent-free process, starting directly from 2,5-furandicarboxylic acid. PNF was revealed to be a material with good thermal stability, characterized by a higher Tg and Tm and a lower RAF fraction compared to poly(propylene 2,5-furanoate) (PPF), ascribable to the two methyl side groups present in PNF glycol-sub-unit. PNF’s mechanical characteristics, i.e., very high elastic modulus and brittle fracture, were found to be similar to those of PPF and PEF. Barrier properties to different gases, temperatures and relative humidity were evaluated. From the results obtained, PNF was showed to be a material with very smart barrier performances, significantly superior with respect to PEF’s ones. Lastly, PNF’s permeability behavior did not appreciably change after contact with food simulants, whereas it got worse with increasing RH, due to the polar nature of furan ring. PMID:28869555

  14. Atividade microbiana cecal e contribuição nutricional da cecotrofia em coelhos alimentados com rações contendo diferentes fontes de fibra e níveis de amido Caecal microbial activity and caecotrophy nutritional contribution in rabbits fed diets with different starch levels and fiber sources

    Directory of Open Access Journals (Sweden)

    Alex Martins Varela de Arruda

    2003-08-01

    Full Text Available Objetivou-se neste estudo a avaliação da atividade microbiana cecal e a contribuição nutricional da cecotrofia em coelhos alimentados com rações contendo diferentes níveis de amido (22 a 32% em média mediante a inclusão de milho grão e diferentes fontes de fibra (feno de alfafa ou casca de soja, em esquema fatorial 2x2. No primeiro experimento, 40 coelhos alojados em gaiolas de engorda individuais, em delineamento inteiramente casualizado e alimentados à vontade dos 45 aos 85 dias de idade, foram abatidos para coleta dos conteúdos ileais e cecais. A concentração de ácidos graxos voláteis foi influenciada pela interação entre tratamentos, sendo 93,82 mmol/l para ração de maior nível de amido com casca de soja e 80,03 mmol/l para ração de menor nível de amido com feno de alfafa. No segundo experimento, 40 coelhos aos 65 dias de idade, alojados em gaiolas de engorda individuais, em delineamento inteiramente casualizado, foram alimentados à vontade por 10 dias, e receberam colares de madeira para permitir a coleta total de cecotrofos. Houve influência da interação entre tratamentos sobre os teores de proteína e energia dos cecotrofos, sendo de 29,66% e 4204,87 kcal/kg para ração contendo maiores níveis de amido e casca de soja e de 27,98% e 4080,46 kcal/kg para ração contendo menores níveis de amido e feno de alfafa. As rações de alto amido ou com casca de soja propiciaram maior enriquecimento do conteúdo cecal e melhor aporte nutricional para os coelhos.The objective of this study was to evaluate the caecal microbial activity and caecotrophy nutritional contribution in rabbits fed diets with differents starch levels (22 or 32% on average from a high or low inclusion of corn grain and differents fiber sources (alfalfa hay or soybean hulls, in a 2x2 factorial design. In the first experiment, 40 rabbits were individually housed in fattening cages within entirely randomized design, and fed ad libitum from 45 to 85

  15. Co-Circulation of the Rare CPV-2c with Unique Gln370Arg Substitution, New CPV-2b with Unique Thr440Ala Substitution, and New CPV-2a with High Prevalence and Variation in Heilongjiang Province, Northeast China.

    Directory of Open Access Journals (Sweden)

    Yufei Geng

    Full Text Available To trace evolution of canine parvovirus-2 (CPV-2, a total of 201 stool samples were collected from dogs with diarrhea in Heilongjiang province of northeast China from May 2014 to April 2015. The presence of CPV-2 in the samples was determined by PCR amplification of the VP2 gene (568 bp of CPV-2. The results revealed that 95 samples (47.26% were positive for CPV-2, and they showed 98.8%-100% nucleotide identity and 97.6%-100% amino acid identity. Of 95 CPV-2-positive samples, types new2a (Ser297Ala, new2b (Ser297Ala, and 2c accounted for 64.21%, 21.05%, and 14.74%, respectively. The positive rate of CPV-2 and the distribution of the new2a, new2b and 2c types exhibited differences among regions, seasons, and ages. Immunized dogs accounted for 48.42% of 95 CPV-2-positive samples. Coinfections with canine coronavirus, canine kobuvirus, and canine bocavirus were identified. Phylogenetic analysis revealed that the identified new2a, new2b, and CPV-2c strains in our study exhibited a close relationship with most of the CPV-2 strains from China; type new2a strains exhibited high variability, forming three subgroups; type new2b and CPV-2c strains formed one group with reference strains from China. Of 95 CPV-2 strains, Tyr324Ile and Thr440Ala substitutions accounted for 100% and 64.21%, respectively; all type new2b strains exhibited the Thr440Ala substitution, while the unique Gln370Arg substitution was found in all type 2c strains. Recombination analysis using entire VP2 gene indicated possible recombination events between the identified CPV-2 strains and reference strains from China. Our data revealed the co-circulation of new CPV-2a, new CPV-2b, and rare CPV-2c, as well as potential recombination events among Chinese CPV-2 strains.

  16. Electron injection from graphene quantum dots to poly(amido amine) dendrimers

    Energy Technology Data Exchange (ETDEWEB)

    Lin, T. N.; Inciong, M. R.; Santiago, S. R.; Shu, G. W.; Yuan, C. T.; Shen, J. L., E-mail: jlshen@cycu.edu.tw [Department of Physics, Center for Nanotechnology, and Center for Biomedical Technology, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Kao, C. W. [Master Program in Nanotechnology at CYCU, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Yeh, J. M.; Chen-Yang, Y. W. [Department of Chemistry, Center for Nanotechnology, and Center for Biomedical Technology, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China)

    2016-04-18

    The steady-state and time-resolved photoluminescence (PL) are used to study the electron injection from graphene quantum dots (GQDs) to poly(amido amine) (PAMAM) dendrimers. The PL is enhanced by depositing GQDs on the surfaces of the PAMAM dendrimers. The maximum enhancement of PL with a factor of 10.9 is achieved at a GQD concentration of 0.9 mg/ml. The dynamics of PL in the GQD/PAMAM composite are analyzed, evidencing the existence of electron injection. On the basis of Kelvin probe measurements, the electron injection from the GQDs to the PAMAM dendrimers is accounted for by the work function difference between them.

  17. Electrical and photoelectrical properties of poly(phenyl azomethine furane) thin films devices

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, G.D. [J.N.V. Univ., Jodhpur (India). Dept. of Phys.; Sandogaker, S.G. [J.N.V. Univ., Jodhpur (India). Dept. of Phys.; Roy, M.S. [Camouflage Division, Defence Laboratory, Jodhpur (Raj.) (India)

    1996-05-15

    Poly(phenyl azomethine furane) (PPAF), a conjugated system of poly-Schiff base was synthesised by condensation of p-aminobenzene with furane-2-aldehyde. Oxidative polymerization was conducted at 0-5 C temperature, and the polymer formed was found to be soluble in common organic solvent. Optical properties were studied in the UV-visible-IR region. Electrical and photoelectrical properties of Al/PPAF/ITO and Ag/PPAF/ITO sandwich devices were investigated by measuring the steady state photocurrent resulting from illumination. The device Al/PPAF/ITO shows a Schottky barrier at the Al-PPAF interface and ohmic contact at ITO-PPAF interface. The device Ag/PPAF/ITO shows ohmic contact at both interfaces. This behaviour has been explained in terms of P-type conductivity of the PPAF and the formation of a Schottky barrier with the low work function electrode and ohmic contact with the higher work function electrode. Under low forward bias voltage (ITO positive) ohmic conduction is observed while at higher voltage there is space charge-limited conduction (SCLC). The dependence of the photo short-circuit current on illumination intensity was discussed in detail. The C-V characteristics of both devices have also been analysed. (orig.)

  18. FORMATION OF DIOXINS AND FURANS DURING MUNICIPAL SOLID WASTE GASIFICATION

    Directory of Open Access Journals (Sweden)

    E. J. Lopes

    2015-03-01

    Full Text Available Abstract Thermal treatment is an interesting strategy to dispose of municipal solid waste: it reduces the volume and weight of the material dumped in landfills and generates alternative energy. However, the process emits pollutants, such as dioxins and furans. The present study evaluated MSW gasification-combustion integrated technologies in terms of dioxin and furan emission; and compared the obtained data with literature results on incineration, to point out which operational features differentiate the release of pollutants by these two processes. The results show that the process of integrated gasification and combustion emitted 0.28 ng N-1 m-3, expressed in TEQ (Total Equivalent Toxicity, of PCDD/F, less than the maximum limits allowed by local and international laws, whereas incineration normally affords values above these limits and requires a gas treatment system. The distinct operational conditions of the two thermal processes, especially those related to temperature and the presence of oxygen and fixed carbon, led to a lower PCDD/F emission in gasification.

  19. 3-Substituted 2-phenyl-indoles

    DEFF Research Database (Denmark)

    Johansson, Karl Henrik; Jørgensen, T.B.; Gloriam, D.E.

    2013-01-01

    -indoles with a variety of substituents at the indole 3-position. Herein we describe the development of optimised and efficient synthetic routes to a series of new 2-phenyl-indole building blocks 3 to 9 and show that these can be used to generate a broad variety of 3-substituted 2-phenyl-indoles of interest to medicinal...

  20. AMIDO DISPONÍVEL E RESISTENTE EM ALIMENTOS: ADAPTAÇÃO DO MÉTODO DA AOAC 996.11

    Directory of Open Access Journals (Sweden)

    M. WALTER

    2008-09-01

    Full Text Available

    Muitos métodos para a quantificação do amido disponível (AD e resistente (AR foram desenvolvidos nos últimos anos. Entretanto, a utilização de diferentes enzimas, assim como de diferentes quantidades de amostra, leva a variações no teor destas frações dificultando a comparação dos resultados obtidos. Desta forma, o objetivo do presente trabalho foi avaliar o efeito da utilização de protease, do aumento da quantidade de amostra (de 100mg para 300mg e da substituição do tampão MOPS pH 7,0 por tampão fosfato pH 6,8 na determinação de AD e AR pela técnica da AOAC 996.11. Para tanto, utilizou-se como amostra amido de milho, arroz branco polido, banana verde e flocos de milho. A utilização de protease no processo de digestão, bem como o aumento na quantidade de amostra, influenciaram significativamente o teor de AD e AR para a maioria dos materiais analisados. Já, a substituição por tampão fosfato não resultou em variação significativa para os teores de AD e AR. Portanto, o protocolo com as três modificações, por apresentar melhor simulação das condições hidrolíticas no trato gastrintestinal, menores coeficientes de variação e custo reduzido pela substituição do tampão, seria o mais adequado à quantificação destas frações do amido.

  1. γ-Alumina Nanoparticle Catalyzed Efficient Synthesis of Highly Substituted Imidazoles

    Directory of Open Access Journals (Sweden)

    Bandapalli Palakshi Reddy

    2015-10-01

    Full Text Available γ-Alumina nano particle catalyzed multi component reaction of benzil, arylaldehyde and aryl amines afforded the highly substituted 1,2,4,5-tetraaryl imidazoles with good to excellent yield in less reaction time under the sonication as well as the conventional methods. Convenient operational simplicity, mild conditions and the reusability of catalyst were the other advantages of this developed protocol.

  2. Hidrofilicidade de filmes de amido/poli(butileno adipato co-tereftalato (Pbat adicionados de tween 80 e óleo de soja Hydrophilicity of starch and poly(butylene adipate-co-terephthalate (Pbat films containing tween 80 and soybean oil

    Directory of Open Access Journals (Sweden)

    Renata P. Herrera Brandelero

    2013-01-01

    Full Text Available A incorporação de amido ao polímero poli (butilenoadipatoco-tereftalato (PBAT através de blendas com alto teor de amido pode ser uma alternativa para obter embalagens biodegradáveis, minimizar custos e o uso de recursos não renováveis. No entanto, a adição de amido aumenta a permeabilidade ao vapor de água (PVA. A incorporação em filmes com amido de substâncias como óleos vegetais e surfactantes pode diminuir a hidrofilicidade, favorecendo as aplicações destes como embalagens. A hidrofilicidade dos filmes elaborados por blendas de amido/PBAT adicionados de óleo de soja (OS e tween 80 (TW foi avaliada considerando o efeito do OS e TW nas isotermas de sorção dos filmes, na PVA e nos coeficientes de difusão (Dw e solubilidade (β do vapor de água. Filmes com OS com ou sem TW apresentaram menor quantidade de água de sorção, sendo os filmes com menores quantidades de OS e sem TW menos hidrofílicos e menos permeáveis aos vapores de água. A adição de OS reduziu os valores de β e Dw dos filmes de amido/PBAT. O efeito foi relacionado com o aumento das porções hidrofóbicas e da compatibilidade entre o amido e PBAT na presença de OS.Incorporating starch into the poly(butylene adipate-co-terephthalate (PBAT polymer by means of blends with high starch contents is a possible option for producing biodegradable packaging using renewable resources and reducing costs. However, the addition of starch increases the water vapour permeability (WVP. The incorporation of substances as lipids and surfactants can reduce the hydrophilicity of films containing starch, favouring their use as packaging. The hydrophilicity of films produced from blends of starch/PBAT with added soybean oil (SO and tween 80 (TW was studied. The effects of these substances on the sorption isotherm, on the WVP and on the water vapour diffusion (Dw and solubility (β coefficients of the films were evaluated. The water sorption in films with SO, with or without TW

  3. Poly(Neopentyl Glycol Furanoate): A Member of the Furan-Based Polyester Family with Smart Barrier Performances for Sustainable Food Packaging Applications

    OpenAIRE

    Laura Genovese; Nadia Lotti; Valentina Siracusa; Andrea Munari

    2017-01-01

    In the last decade, there has been an increased interest from the food packaging industry toward the development and application of bioplastics, to contribute to the sustainable economy and to reduce the huge environmental problem afflicting the planet. In the present work, we focus on a new furan-based polyester, poly(neopentyl glycol 2,5-furanoate) (PNF) to be used for sustainable food packaging applications. The aromatic polyester was successfully synthesized with high molecular weight, th...

  4. Effect of Se substitution on the phase change properties of Ge2Sb2Te5

    Science.gov (United States)

    Shekhawat, Roopali; Rangappa, Ramanna; Gopal, E. S. R.; Ramesh, K.

    2018-05-01

    Ge2Sb2Te5 popularly known as GST is being explored for non-volatile phase change random access memory(PCRAM) applications. Under high electric field, thin films of amorphous GST undergo a phase change from amorphous to crystalline with a high contrast in electrical resistivity (about 103). The phase change is between amorphous and metastable NaCl structure occurs at about 150°C and not to the stable hexagonal phase which occurs at a high temperature (> 250 °C). In GST, about 50 % of Te substituted by Se (Ge2Sb2Te2.5Se2.5) is found to increase the contrast in electrical resistivity by 7 orders of magnitude (about 4 orders of magnitude higher than GST). The phase transition in Se added GST also found to be between amorphous and the stable hexagonal structure. The threshold voltage at which the Ge2Sb2Te2.5Se2.5 switches to the high conducting state increases to 9V as compared to 2V in GST. Interestingly, the threshold current decrease to 1mA as compared to 1.8mA in GST indicating the Se substitution reduces the power needed for switching between the low and high conducting states. The reduction in power needed for phase change, high contrast in electrical resistivity with high thermal stability makes Ge2Sb2Te2.5Se2.5 as a better candidate for PCRAM.

  5. Caracterização físico-química do grândulo do amido do feijão caupi Physico-chemical characteristics of the granule of the starch of the cowpea bean

    Directory of Open Access Journals (Sweden)

    S.M. Salgado

    2005-09-01

    Full Text Available O presente trabalho objetivou caracterizar quimica e fisicamente o amido de feijão caupi nos estádios de maturação em que o grão é consumido. Grãos verdes e maduros de feijão caupi (Vigna unguiculata L. Walp foram submetidos à determinação da composição centesimal: proteína por Kjeldahl, lipídio por Soxleth, umidade a 105º, cinzas a 550ºC, fibra alimentar por método gravimétrico-enzimático, carboidratos totais por diferença, amido total, glicídios redutores e não redutores, por óxido-redução em solução de Fehling. O amido isolado das distintas amostras foi analisado quanto ao amido resistente (baseado no uso de enzimas amilolíticas, amilose e amilopectina (por espectrofotometria e tipificação (difração de raio-X. Os dados paramétricos foram avaliados pelo teste t de Student. Os resultados obtidos demonstraram que as frações de carboidratos diferiram em função do estádio de maturação dos grãos. O amido de feijão verde apresentou maior teor de amido resistente (AR tipo 2 em relação ao amido total e baixo conteúdo de amilose. A maturação influenciou nos padrões de cristalinidade, sendo encontrado padrão tipo C para o feijão verde e o A para o maduro. O estádio de maturação exerceu influência sobre aspectos qualitativos e quantitativos dos constituintes dos feijões. O aspecto morfológico dos grânulos de amido não sofreu influência do estádio de maturação dos grãos. O feijão verde apresenta um percentual da fibra alimentar solúvel compatível com a recomendação do FDA.This work aimed at characterizing the starch of the cowpea bean in the stages of maturation in which it is consumed both chemically and physically. The unripe and ripe grains of the cowpea bean (Vigna unguiculata L. Walp were submitted to determine the centesimal composition: protein by Kjeldahl, lipids by Soxleth, moisture at 105°C, ashes at 550°C, alimentary fiber by gravimetric-enzymatic method, total carbohydrates

  6. Phenazine containing indeno-furan based colorimetric and “on–off” fluorescent sensor for the detection of Cu2+ and Pb2+

    International Nuclear Information System (INIS)

    Aggarwal, Komal; Khurana, Jitender M.

    2015-01-01

    A new fluorescent sensor 10a,15a-dihydroxy-10aH-benzo[a]indeno[2′,1′:4,5]furo[2,3-c]phenazin-15 (15aH)-one (1) based on the combination of phenazine and indenofuran moieties was designed and synthesized. Structure of the synthesized sensor has been confirmed by X-ray crystallographic analysis. Absorption and emission spectra of 1 has been studied in solvents of different polarity. The solvent effect on the spectral properties of 1 has been investigated by using the Lippert–Mataga and Reichardt–Dimroth methods. It exhibits high sensitivity and selectivity towards Cu 2+ and Pb 2+ ions over other metal ions by fluorescence quenching. Sensor 1 exhibited a visible color change from light orange to pink, and yellow in the presence of Cu 2+ and Pb 2+ , respectively. The fluorescence of the 1-Cu 2+ /Pb 2+ complexes can be reversibly restored to that of the uncomplexed ligand by using EDTA. Binding stoichiometry and mechanism of Cu 2+ and Pb 2+ ions detection have been investigated. The linear range for the synthesized sensor was found to be 1×10 −6 –6.31×10 −5 M with detection limit of 1.3×10 −6 M. Theoretical calculations were employed to understand the sensing mechanism of the sensors towards Cu 2+ . - Highlights: • A new indeno-furan based “on–off” sensor for detection of Cu 2+ and Pb 2+ has been synthesized. • 1 shows naked-eye visible color changes upon interaction with Cu 2+ and Pb 2+ . • The complex formation of 1 with Cu 2+ and Pb 2+ could be reversed by addition of EDTA

  7. Characterization of the Sublimation and Vapor Pressure of 2-(2-Nitrovinyl) Furan (G-0) Using Thermogravimetric Analysis: Effects of Complexation with Cyclodextrins.

    Science.gov (United States)

    Ruz, Vivian; González, Mirtha Mayra; Winant, Danny; Rodríguez, Zenaida; Van den Mooter, Guy

    2015-08-19

    In the present work, the sublimation of crystalline solid 2-(2-nitrovinyl) furan (G-0) in the temperature range of 35 to 60 °C (below the melting point of the drug) was studied using thermogravimetric analysis (TGA). The sublimated product was characterized using Fourier-transformed-infrared spectroscopy (FT-IR) and thin layer chromatography (TLC). The sublimation rate at each temperature was obtained using the slope of the linear regression model and followed apparent zero-order kinetics. The sublimation enthalpy from 35 to 60 °C was obtained from the Eyring equation. The Gückel method was used to estimate the sublimation rate and vapor pressure at 25 °C. Physical mixtures, kneaded and freeze-dried complexes were prepared with 2-hydroxypropyl-β-cyclodextrin (HP-β-CD) and sulfobutyl ether-β-cyclodextrin (SBE-β-CD) and analyzed using isothermal TGA at 50 °C. The complexation contributed to reducing the sublimation process. The best results were achieved using freeze-dried complexes with both cyclodextrins.

  8. Atividade da amilase no intestino delgado de coelhos alimentados com dietas contendo diferentes níveis de amido antes e após desmame = Amylase activity in the small intestine of rabbits fed with diets containing starch levels before and after weaning

    Directory of Open Access Journals (Sweden)

    Haroldo Garcia de Faria

    2006-07-01

    Full Text Available Para avaliar a atividade amilásica em coelhos após a desmama, foram utilizados 200 animais da Raça Nova Zelândia Branco, submetidos a diferentes padrões de alimentação desde a fase de lactação. Quarenta deles foram abatidos aos 35 dias de idade e 80, aos 50 e aos 70 dias de idade. Para modular o padrão de consumo de leite e ração antes da desmama, as ninhadas equalizadas em 8 láparos do nascimento até ao 16º dia de idade, a partir desta idade, até a desmama, foram submetidos à alta e baixa disponibilidade de leite, mantendo ninhadas com 4 ou 8 láparos recebendo dietas com nível normal (15% e alto (24% de amido. A partir da desmama, os animais de cada um dos 4 padrões de alimentação até a desmama passaram a receber as mesmasdietas com níveis normal e alto de amido, em um esquema fatorial 2x2x2 (ninhadas submetidas à baixa e alta disponibilidade de leite versus dois níveis de amido na dieta até a desmama versus doisníveis de amido na dieta após a desmama. Os resultados mostraram que a manutenção de ninhadas com 4 ou 8 animais entre o 16º e 35º dia de lactação não modificou (P>0,05 a atividade da amilase em qualquer das idades avaliadas após o desmame. O uso de dietas com alto teor de amido durante a lactação aumentou (POne experiment was carried out to study the amylase activity in the small intestine (jejunum and ileum of rabbits from litters maintained on different feeding patterns. Two hundred White New Zealand rabbits were analyzed, out of which 40 35- days-old rabbits, 80 50-days-old rabbits and 80 70-days-old rabbits were slaughtered. To modulate the pattern of feed and milk intake before weaning, the litters were modulated for eight young rabbits until 16 days old. From 16 days until weaning, they were submitted to low or high milkavailability, litters maintained with four or eight young rabbits receiving diets containing normal or high starch level. The animals were distributed in a factorial design 2

  9. Photocatalytic CO2 reduction by Cr-substituted Ba2 (In2-xCrx)O5·(H2O)δ (0.04 ≤ x ≤ 0.60)

    KAUST Repository

    Yoon, Songhak; Gaul, Michael; Sharma, Sitansh; Son, Kwanghyo; Hagemann, Hans; Ziegenbalg, Dirk; Schwingenschlö gl, Udo; Widenmeyer, Marc; Weidenkaff, Anke

    2018-01-01

    Cr-substituted polycrystalline Ba2(In2-xCrx)O5·(H2O)δ powders (0.04 ≤ x ≤ 0.60) were synthesized by solid state reaction to investigate the relation of crystal structure, thermochemical, magnetic, and optical properties. The Cr-substitution results in an unit cell expansion and formation of the higher-symmetric tetragonal phase together with increased oxygen and hydrogen contents. Magnetic property measurements reveal that the diamagnetic pristine Ba2In2O5·(H2O)δ becomes magnetically ordered upon Cr-substitution. By UV–vis spectroscopy a gradual shift of the absorption-edge energy to lower values was observed. Numerical calculations showed that the observed bandgap narrowing was ascribed to the Cr induced states near the Fermi level. The correlation between the changes of crystal chemistry, magnetic, and optical properties of Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ can be explained by the replacement of In by Cr. Consequently, an enhanced photocatalytic CO2 reduction activity was observed with increasing Cr substitution, compatible with the state-of-the-art high surface area TiO2 photocatalyst (P-25).

  10. Photocatalytic CO2 reduction by Cr-substituted Ba2 (In2-xCrx)O5·(H2O)δ (0.04 ≤ x ≤ 0.60)

    KAUST Repository

    Yoon, Songhak

    2018-02-09

    Cr-substituted polycrystalline Ba2(In2-xCrx)O5·(H2O)δ powders (0.04 ≤ x ≤ 0.60) were synthesized by solid state reaction to investigate the relation of crystal structure, thermochemical, magnetic, and optical properties. The Cr-substitution results in an unit cell expansion and formation of the higher-symmetric tetragonal phase together with increased oxygen and hydrogen contents. Magnetic property measurements reveal that the diamagnetic pristine Ba2In2O5·(H2O)δ becomes magnetically ordered upon Cr-substitution. By UV–vis spectroscopy a gradual shift of the absorption-edge energy to lower values was observed. Numerical calculations showed that the observed bandgap narrowing was ascribed to the Cr induced states near the Fermi level. The correlation between the changes of crystal chemistry, magnetic, and optical properties of Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ can be explained by the replacement of In by Cr. Consequently, an enhanced photocatalytic CO2 reduction activity was observed with increasing Cr substitution, compatible with the state-of-the-art high surface area TiO2 photocatalyst (P-25).

  11. Photocatalytic CO2 reduction by Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ (0.04 ≤ x ≤ 0.60)

    Science.gov (United States)

    Yoon, Songhak; Gaul, Michael; Sharma, Sitansh; Son, Kwanghyo; Hagemann, Hans; Ziegenbalg, Dirk; Schwingenschlogl, Udo; Widenmeyer, Marc; Weidenkaff, Anke

    2018-04-01

    Cr-substituted polycrystalline Ba2(In2-xCrx)O5·(H2O)δ powders (0.04 ≤ x ≤ 0.60) were synthesized by solid state reaction to investigate the relation of crystal structure, thermochemical, magnetic, and optical properties. The Cr-substitution results in an unit cell expansion and formation of the higher-symmetric tetragonal phase together with increased oxygen and hydrogen contents. Magnetic property measurements reveal that the diamagnetic pristine Ba2In2O5·(H2O)δ becomes magnetically ordered upon Cr-substitution. By UV-vis spectroscopy a gradual shift of the absorption-edge energy to lower values was observed. Numerical calculations showed that the observed bandgap narrowing was ascribed to the Cr induced states near the Fermi level. The correlation between the changes of crystal chemistry, magnetic, and optical properties of Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ can be explained by the replacement of In by Cr. Consequently, an enhanced photocatalytic CO2 reduction activity was observed with increasing Cr substitution, compatible with the state-of-the-art high surface area TiO2 photocatalyst (P-25).

  12. Eco-friendly synthesis, in vitro anti-proliferative evaluation, and 3D-QSAR analysis of a novel series of monocationic 2-aryl/heteroaryl-substituted 6-(2-imidazolinyl)benzothiazole mesylates.

    Science.gov (United States)

    Racané, Livio; Ptiček, Lucija; Sedić, Mirela; Grbčić, Petra; Kraljević Pavelić, Sandra; Bertoša, Branimir; Sović, Irena; Karminski-Zamola, Grace

    2018-04-17

    Herein, we describe the synthesis of twenty-one novel water-soluble monocationic 2-aryl/heteroaryl-substituted 6-(2-imidazolinyl)benzothiazole mesylates 3a-3u and present the results of their anti-proliferative assays. Efficient syntheses were achieved by three complementary simple two-step synthetic protocols based on the condensation reaction of aryl/heteroaryl carbaldehydes or carboxylic acid. We developed an eco-friendly synthetic protocol using glycerol as green solvent, particularly appropriate for the condensation of thermally and acid-sensitive heterocycles such as furan, benzofuran, pyrrole, and indole. Screening of anti-proliferative activity was performed on four human tumour cell lines in vitro including pancreatic cancer (CFPAC-1), metastatic colon cancer (SW620), hepatocellular carcinoma (HepG2), and cervical cancer (HeLa), as well as in normal human fibroblast cell lines. All tested compounds showed strong to moderate anti-proliferative activity on tested cell lines depending on the structure containing aryl/heteroaryl moiety coupled to 6-(2-imidazolinyl)benzothiazole moiety. The most potent cytostatic effects on all tested cell lines with [Formula: see text] values ranging from 0.1 to 3.70 [Formula: see text] were observed for benzothiazoles substituted with naphthalene-2-yl 3c, benzofuran-2-yl 3e, indole-3-yl 3j, indole-2-yl 3k, quinoline-2-yl 3s, and quinoline-3-yl 3t and derivatives substituted with phenyl 3a, naphthalene-1-yl 3b, benzothiazole-2-yl 3g, benzothiazole-6-yl 3h, N-methylindole-3-yl 3l, benzimidazole-2-yl 3n, benzimidazole-5(6)-yl 3o, and quinolone-4-yl 3u with [Formula: see text] values ranging from 1.1 to 29.1 [Formula: see text]. Based on obtained anti-proliferative activities, 3D-QSAR models for five cell lines were derived. Molecular volume, molecular surface, the sum of hydrophobic surface areas, molecular mass, and possibility of making dispersion forces were identified by QSAR analyses as molecular properties that are

  13. Synthesis and Cytotoxic Evaluation of 1H-1,2,3-Triazol-1-ylmethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-diones

    Directory of Open Access Journals (Sweden)

    INGRID C. CHIPOLINE

    2018-02-01

    Full Text Available ABSTRACT The 1,2-naphthoquinone compound was previously considered active against solid tumors. Moreover, glycosidase inhibitors such as 1,2,3-1H triazoles has been pointed out as efficient compounds in anticancer activity studies. Thus, a series of eleven 1,2-naphthoquinones tethered in C2 to 1,2,3-1H-triazoles 9a-k were designed, synthesized and their cytotoxic activity evaluated using HCT-116 (colon adenocarcinoma, MCF-7 (breast adenocarcinoma and RPE (human nontumor cell line from retinal epithelium. The chemical synthesis was performed from C-3 allylation of lawsone followed by iodocyclization with subsequent nucleophilic displacement with sodium azide and, finally, the 1,3-dipolar cycloaddition catalyzed by Cu(I with terminal alkynes led to the formation of 1H-1,2,3-Triazol-1-ylmethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-diones in good yields. Compounds containing aromatic group linked to 1,2,3-triazole ring (9c, 9d, 9e, 9i presented superior cytotoxic activity against cancer cell lines with IC50 in the range of 0.74 to 4.4 µM indicating that the presence of aromatic rings substituents in the 1,2,3-1H-triazole moiety is probably responsible for the improved cytotoxic activity.

  14. Synthesis and antitumoral activity of novel 3-(2-substituted-1,3,4-oxadiazol-5-yl) and 3-(5-substituted-1,2,4-triazol-3-yl) beta-carboline derivatives.

    Science.gov (United States)

    Formagio, Anelise S Nazari; Tonin, Lilian T Düsman; Foglio, Mary Ann; Madjarof, Christiana; de Carvalho, João Ernesto; da Costa, Willian Ferreira; Cardoso, Flávia P; Sarragiotto, Maria Helena

    2008-11-15

    Several novel 1-substituted-phenyl beta-carbolines bearing the 2-substituted-1,3,4-oxadiazol-5-yl and 5-substituted-1,2,4-triazol-3-yl groups at C-3 were synthesized and evaluated for their in vitro anticancer activity. The assay results pointed thirteen compounds with growth inhibition effect (GI(50)<100 microM) for all eight different types of human cancer cell lines tested. The beta-carbolines 7a and 7h, bearing the 3-(2-metylthio-1,3,4-oxadiazol-5-yl) group, displayed high selectivity and potent anticancer activity against ovarian cell line with GI(50) values lying in the nanomolar concentration range (GI(50)=10 nM for both compounds). The 1-(N,N-dimethylaminophenyl)-3-(5-thioxo-1,2,4-triazol-3-yl) beta-carboline (8g) was the most active compound, showing particular effectiveness on lung (GI(50)=0.06 microM), ovarian and renal cell lines. The potent anticancer activity presented for synthesized compounds 7a, 7h, and 8g, together with their easiness of synthesis, makes these compounds promising anticancer agents.

  15. Ultra-trace analysis of furanic compounds in transformer/rectifier oils with water extraction and high-performance liquid chromatography.

    Science.gov (United States)

    Lin, Monica; Lin, Kham; Lin, Amanda; Gras, Ronda; Luong, Jim

    2016-07-01

    A novel approach for the determination of parts-per-billion level of 5-hydroxymethyl-2-furaldehyde, furfuryl alcohol, furfural, 2-furyl methyl ketone, and 5-methylfurfural in transformer or rectifier oils has been successfully innovated and implemented. Various extraction methods including solid-phase extraction, liquid-liquid extraction using methanol, acetonitrile, and water were studied. Water was by far the most efficient solvent for use as an extraction medium. Separation of the analytes was conducted using a 4.6 mm × 250 mm × 3.5 μm Agilent Zorbax column while detection and quantitation were conducted with a variable wavelength UV detector. Detection limits of all furans were at 1 ppb v/v with linear ranges range from 5 to 1000 ppb v/v with correlation coefficients of 0.997 or better. A relative standard deviation of at most 2.4% at 1000 ppb v/v and 7.3% at 5 ppb v/v and a recovery from 43% to 90% depending on the analyte monitored were obtained. The method was purposely designed to be environmental friendly with water as an extraction medium. Also, the method uses 80% water and 20% acetonitrile with a mere 0.2 mL/min of acetonitrile in an acetonitrile/water mixture as mobile phase. The analytical technique has been demonstrated to be highly reliable with low cost of ownership, suitable for deployment in quality control labs or in regions where available analytical resources and solvents are difficult to procure. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Facile and Selective Synthesis of 2-Substituted Benzimidazoles Catalyzed by FeCl3/ Al2O3

    Directory of Open Access Journals (Sweden)

    Guo-Feng Chen

    2012-01-01

    Full Text Available 2-Substituted benzimidazoles were synthesized in a single pot from aromatic aldehydes and o-phenylenediamine catalyzed by FeCl3/ Al2O3 in DMF at ambient temperature attained good yields and high selectivity.

  17. Magnetic properties of magnetic glass-like carbon prepared from furan resin alloyed with magnetic fluid

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, Kazumasa, E-mail: naka@sss.fukushima-u.ac.jp [Materials Science Area, Graduate School of Symbiotic Systems Science and Technology, Fukushima University, 1 Kanayagawa, Fukushima 960-1296 (Japan); Okuyama, Kyoko [Materials Science Area, Graduate School of Symbiotic Systems Science and Technology, Fukushima University, 1 Kanayagawa, Fukushima 960-1296 (Japan); Takase, Tsugiko [Institute of Environmental Radioactivity (IER), Fukushima University, 1 Kanayagawa, Fukushima 960-1296 (Japan)

    2017-03-01

    Magnetic glass-like carbons that were heat-treated at different temperatures or were filled with different magnetic nanoparticle contents were prepared from furan resin alloyed with magnetic fluid (MF) or Fe{sub 3}O{sub 4} powder in their liquid-phase states during mixing. Compared to the Fe{sub 3}O{sub 4} powder-alloyed carbon, the MF-alloyed carbon has highly dispersed the nanoparticles, and has the excellent saturation magnetization and coercivity. It is implied that saturation magnetizations are related to changes in the types of phases for the nanoparticles and the relative intensities of X-ray diffraction peaks for iron and iron-containing compounds in the carbons. Additionally, the coercivities are possibly affected by the size and crystallinity of the nanoparticles, the relative amounts of iron, and the existence of amorphous compounds on the carbon surfaces. - Highlights: • Magnetic glass-like carbons were prepared from furan resin alloyed with magnetic fluid. • The nanoparticles of MF-alloyed GLCs were highly dispersed. • MF-alloyed GLCs had excellent magnetic properties compared to powder-alloyed ones. • The magnetic properties changed with treatment temperature and nanoparticle content. • The changes in magnetic properties were investigated with XRD and FE-SEM.

  18. Tuning ZrFe{sub 4}Si{sub 2} by Ge and Y substitution

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Katharina [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Institute of Solid State Physics, TU Dresden (Germany); Mufti, Nandang; Bergmann, Christoph; Rosner, Helge; Geibel, Christoph [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Goltz, Til; Klauss, Hans-Henning [Institute of Solid State Physics, TU Dresden (Germany); Woike, Theo [Institute for Structural Physics, TU Dresden (Germany)

    2016-07-01

    The intermetallic compound series AFe{sub 4}X{sub 2} (A = Y, Lu, Zr; X = Si, Ge) presents a rare case of magnetic frustrated metallic systems. In particular ZrFe{sub 4}Si{sub 2} is of strong interest because our results indicate this system to be very close to a quantum critical point (QCP) where Fe magnetic order disappears. To get a deeper insight into its ground state, we performed a detailed study of Ge and Y substituted ZrFe{sub 4}Si{sub 2}. The isovalent substitution of Ge for Si induces a negative chemical pressure as Ge is larger than Si. As expected from this, the substitution results in the formation of a well-defined antiferromagnetic order with Neel temperatures increasing up to 25 K at 40 % Ge. This confirms ZrFe{sub 4}Si{sub 2} to be extremely close to the QCP, just on the magnetic side of it. With the second substitution series Y{sub x}Zr{sub 1-x}Fe{sub 4}Si{sub 2} we investigate the development from the highly reduced antiferromagnetic order in ZrFe{sub 4}Si{sub 2} towards the two magnetic transitions at 56 K and 76 K, which we see in YFe{sub 4}Si{sub 2}.

  19. Diastereoselective Au-Catalyzed Allene Cycloisomerizations to Highly Substituted Cyclopentenes.

    Science.gov (United States)

    Reeves, Ryan D; Phelps, Alicia M; Raimbach, William A T; Schomaker, Jennifer M

    2017-07-07

    Site- and regiocontrolled Au-catalyzed allene carbocyclizations furnish highly substituted cyclopentenes in >1:1 dr. Significant substitution on the substrate is tolerated, with potential to install five contiguous stereocenters after alkene functionalization. Major challenges include identifying a Au/Cu catalyst that controls both the relative rates of allene epimerization/cyclization and the facial selectivity in addition of a metal enolate to the allene. Experiments to achieve stereodivergent cyclizations and transform key cyclopentenes into useful synthetic building blocks are described.

  20. Photochemical reaction of Si-substituted ethynylsilanes with 1,2-ethanedithiol

    Energy Technology Data Exchange (ETDEWEB)

    Voronkov, M.G.; Brodskaya, E.I.; Kalabin, G.A.; Vlasova, N.N.; Yarosh, O.G.; Zhila, G.Y.

    1985-12-01

    The authors investigate the chief products of the photochemical reactions of Si-substituted ethynylsilanes with 1,2,-ethanedithiol at 60-70 C. It is found that the chief products are 2-triorganylsilyl-substituted 1,4-dithiacyclopentanes and 1,4-dithiacyclohexanes. On lowering the temperature to -30 C, formation of bis (triorganylsilyl)-substituted 1,4,7,10-tetrathiacyclododecanes occurs along with the abo ve-mentioned five- and six-membered heterocycles.

  1. Simple, mild, and highly efficient synthesis of 2-substituted benzimidazoles and bis-benzimidazoles

    OpenAIRE

    Eren,Bilge; Bekdemir,Yunus

    2014-01-01

    A new convenient method for preparation of 2-substituted benzimidazoles and bis-benzimidazoles is presented. In this method, o-phenylenediamines were condensed with bisulfite adducts of various aldehydes and di-aldehydes under neat conditions by microwave heating. The results were also compared with results of synthesis by conventional heating under reflux. Structures of the products were confirmed by infrared, ¹H- and 13C-NMR spectroscopy. Short reaction times, good yields, easy purification...

  2. Bench scale studies: Ozonation as a potential treatment for waters contaminated with hydrocarbons or dioxins and furans

    International Nuclear Information System (INIS)

    Schaal, W.

    1995-01-01

    The objective of the bench scale studies was to examine the destruction efficiency and efficacy of ozone on chemicals of concern (COC's) commonly found in contaminated ground water and rhenoformer wash water. The ground water used in these tests contained aromatic petroleum hydrocarbons, chlorinated hydrocarbons, and mineral spirits. The rhenoformer wash water used in these tests contained a variety of dioxins (including 2,3,7,8-tetrachlorodibenzo-p-dioxin) and furans. Summaries are presented of the bench scale studies by describing the COCs, methodologies, test reactors, observations, and results. The summaries also detail which applications hold promise with respect to ozonation and which ones do not. Bench test results for the experiments in which aromatic petroleum hydrocarbons, chlorinated hydrocarbons, and mineral spirits where the COCs were relatively successful. Concentrations for the COCs ranging from 300 to 3,400 micrograms per liter (microg/L) were brought below levels specified for storm sewer discharge per the National Priority Discharge Elimination Systems (NPDES) permit requirements. Bench test results for the experiments in which dioxins and furans were the COCs were less promising and revealed that additional processes would have to be used in conjunction with ozonation to bring the concentration of COCs within the targeted ranges. It was realized, however, that the effectiveness and efficacy of ozonation were diminished by the presence of particulates, to which some of the dioxin and furan compounds adhered

  3. Substitution effect on metal-insulator transition of K2V8O16

    International Nuclear Information System (INIS)

    Isobe, Masahiko; Koishi, Shigenori; Yamazaki, Satoshi; Yamaura, Jun-ichi; Gotou, Hirotada; Yagi, Takehiko; Ueda, Yutaka

    2009-01-01

    The effect of the substitution of various ions on the metal-insulator (MI) transition at 170 K in K 2 V 8 O 16 has been investigated. Both Rb and Ti form complete solid solution systems: K 2-x Rb x V 8 O 16 and K 2 V 8-y Ti y O 16 , respectively. The substitution of Rb for K or of Ti for V splits the transition into two transitions: the high-temperature transition is a first-order MI transition from a tetragonal structure to a tetragonal structure, and the low-temperature transition is a second-order transition to a monoclinic structure. In K 2-x Rb x V 8 O 16 , the former terminates to an MI transition at around 220 K in Rb 2 V 8 O 16 , while the latter disappears at x > 0.6. In K 2 V 8-y Ti y O 16 , both transitions disappear at y > 0.5. The substitution of Cr for V also results in a similar splitting of the transition and the rapid disappearance of both transitions. The substitution of Na or Ba for K suppresses the MI transition without any splitting of the transition, although the solubility of both ions is limited. These substitution effects reveal that the MI transition of K 2 V 8 O 16 consists of two parts: a first-order MI transition and a parasitic second-order structural transition; the substitution of some ions causes a clear splitting of these transitions, probably due to the difference between the chemical pressure effects on the two transitions. The first-order MI transition is very sensitive to charge randomness, suggesting the charge ordering nature of the MI transition, while the second-order structural transition is very sensitive to both charge and structural randomnesses. (author)

  4. for the inference of Furan combustion reaction rate

    KAUST Repository

    Long, Quan

    2016-01-06

    We carry out the design of experiments for the identification of the reaction parameters in Furan combustion. The lacks of information on the true value of the control parameters, specifically, the initial temperature and the initial TBHP concentration, are considered in the design procedure by errors-invariables models. We use two types of observables. The first is a scaler observable, i.e., half decay time of the [TBHP]. The second is the time history of the concentration.

  5. Avaliação da viscosidade durante a fabricação do doce de leite tradicional adicionado de amido de milho nativo.

    Directory of Open Access Journals (Sweden)

    Monique Colombo

    2009-10-01

    Full Text Available O doce de leite é o principal produto concentrado produzido no Brasil. Minas Gerais responde por 50% da produção brasileira de doce de leite tendo, por este motivo, o maior parque industrial. O objetivo deste trabalho foi estudar a variação da viscosidade durante a fabricação do doce de leite tradicional adicionado de amido de milho nativo. Os resultados encontrados mostram a elevação da viscosidade do doce durante a fabricação e um aumento pronunciado após 60 minutos de fervura, o que, baseado nas imagens microscópicas, pode ser atribuído à exposição da amilose por rompimento da estrutura do amido nativo.

  6. Supercurrent transport properties in Nd substituted TlSr2CaCu2O7 high temperature superconductor

    International Nuclear Information System (INIS)

    Andrew Das Arulsamy; Abd Shukor, R.

    1999-01-01

    The transport critical current density, J ct of TI(Sr 1-x Nd x ) 2 CaCu 2 O 7 (x= 0.1, 0.2 and 0.3) high temperature superconductors were measured at various temperatures. X-ray diffraction patterns indicate that all samples consist of mainly of the 1212 phase. The variation of J ct with Nd concentration, temperature and T c were scaled using a universal function. By plotting J ct versus T n c (x) and [1-(T/T c ) 2 ] m , we can divide the temperature dependencies of J ct into two regions. In each region, a linear relationship is suggested to hold between J ct and [1-(T/T c ) 2 ] m . For x=0.1, a relatively large exponent m in the range 40 - 50 K is observed, but a lower value is observed for a higher temperature range, 55 - 60 K. Average m for x = 0. 1 in the range 40 - 70 K is 1.8 but for x=0.2 and 0.3, m is 0.6 and 1.2, respectively. This can be interpreted as an indication that there is a change in the elementary flux pinning force which is responsible for sustaining the supercurrent. A self-field approximation indicates that Nd substitution lowers the distance between pinning centers (L c ). (author)

  7. Catalytic Upgrading of Biomass-Derived Compounds via C-C Coupling Reactions. Computational and Experimental Studies of Acetaldehyde and Furan Reactions in HZSM-5

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Cong [Argonne National Lab. (ANL), Argonne, IL (United States); Evans, Tabitha J. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Cheng, Lei [Argonne National Lab. (ANL), Argonne, IL (United States); Nimlos, Mark R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Mukarakate, Calvin [National Renewable Energy Lab. (NREL), Golden, CO (United States); Robichaud, David J. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Assary, Rajeev S. [Argonne National Lab. (ANL), Argonne, IL (United States); Curtiss, Larry A. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-10-02

    These catalytic C–C coupling and deoxygenation reactions are essential for upgrading of biomass-derived oxygenates to fuel-range hydrocarbons. Detailed understanding of mechanistic and energetic aspects of these reactions is crucial to enabling and improving the catalytic upgrading of small oxygenates to useful chemicals and fuels. Using periodic density functional theory (DFT) calculations, we have investigated the reactions of furan and acetaldehyde in an HZSM-5 zeolite catalyst, a representative system associated with the catalytic upgrading of pyrolysis vapors. Comprehensive energy profiles were computed for self-reactions (i.e., acetaldehyde coupling and furan coupling) and cross-reactions (i.e., acetaldehyde + furan) of this representative mixture. Major products proposed from the computations are further confirmed using temperature controlled mass spectra measurements. Moreover, the computational results show that furan interacts with acetaldehyde in HZSM-5 via an alkylation mechanism, which is more favorable than the self-reactions, indicating that mixing furans with aldehydes could be a promising approach to maximize effective C–C coupling and dehydration while reducing the catalyst deactivation (e.g., coke formation) from aldehyde condensation.

  8. Structure-Activity Relationships of Truncated C2- or C8-Substituted Adenosine Derivatives as Dual Acting A2A and A3 Adenosine Receptor Ligands

    Science.gov (United States)

    Hou, Xiyan; Majik, Mahesh S.; Kim, Kyunglim; Pyee, Yuna; Lee, Yoonji; Alexander, Varughese; Chung, Hwa-Jin; Lee, Hyuk Woo; Chandra, Girish; Lee, Jin Hee; Park, Seul-gi; Choi, Won Jun; Kim, Hea Ok; Phan, Khai; Gao, Zhan-Guo; Jacobson, Kenneth A.; Choi, Sun; Lee, Sang Kook; Jeong, Lak Shin

    2011-01-01

    Truncated N6-substituted-4′-oxo- and 4′-thioadenosine derivatives with C2 or C8 substitution were studied as dual acting A2A and A3 adenosine receptor (AR) ligands. The lithiation-mediated stannyl transfer and palladium-catalyzed cross coupling reactions were utilized for functionalization of the C2 position of 6-chloropurine nucleosides. An unsubstituted 6-amino group and a hydrophobic C2 substituent were required for high affinity at the hA2AAR, but hydrophobic C8 substitution abolished binding at the hA2AAR. However, most of synthesized compounds displayed medium to high binding affinity at the hA3AR, regardless of C2 or C8 substitution, and low efficacy in a functional cAMP assay. Several compounds tended to be full hA2AAR agonists. C2 substitution probed geometrically through hA2AAR-docking, was important for binding in order of hexynyl > hexenyl > hexanyl. Compound 4g was the most potent ligand acting dually as hA2AAR agonist and hA3AR antagonist, which might be useful for treatment of asthma or other inflammatory diseases. PMID:22142423

  9. Role of the ribose-specific marker furfuryl-amine in the formation of aroma active 1-(furan-2-ylmethyl)-1H-pyrrole (or furfuryl-pyrrole) derivatives.

    Science.gov (United States)

    Nikolov, Plamen Y; Yaylayan, Varoujan A

    2012-10-10

    Furfuryl-pyrroles possess a diverse range of organoleptic properties described as roasted, chocolaty, green, horseradish-like, and mushroom-like and are detected in various foods such as coffee, chocolate, popcorn, and roasted chicken. Although their origin in food was attributed to furfuryl-amine, the latter has not been detected so far in Maillard model systems or in foods. In this study, furfuryl-amine was shown to be formed specifically from ribose through nitrogen atom transfer from the α-amino group of any amino acid. Such a transfer can be achieved through decarboxylation of the Schiff base adduct and isomerization followed by hydrolysis. Through the use of (15)Nα-lysine it was revealed that only the (15)Nα nitrogen atom was incorporated into its structure, indicating a specific role for the carboxylate moiety in the mechanism of its formation. Furthermore, isotope labeling studies have indicated that furfuryl-pyrrole derivatives can be formed by the interaction of 2 mol of furfuryl-amine with 3-deoxyribosone followed by dehydration and cyclization to form 1-(furan-2-yl)-N-{[1-(furan-2-ylmethyl)-1H-pyrrol-2-yl]methylidene}methanamine. After hydrolysis, this intermediate can generate furfuryl-formyl-pyrrole, furfuryl-pyrrole carboxylic acid, and furfuryl-pyrrole. In this study, the furfuryl-amine derivatives were also detected in different coffee beans after pyrolysis and analysis by GC-MS. The potential of these compounds to form in aqueous model systems at a temperature of 120 °C was also demonstrated.

  10. 1-Hydroxyethyl-2-Substituted Phenoxymethyl Benzimidazoles: Synthesis and Crystal Structures

    International Nuclear Information System (INIS)

    Wu, J.; Wang, Z.; Gu, H.; Chen, W.; Zhao, L.; Zhao, C.

    2016-01-01

    Five novel 1-hydroxyethyl-2-substituted phenoxymethyl benzimidazoles c1-c5 were successfully synthesized by a three-step route. Firstly, five substituted phenoxymethyl acids a1-a5 were prepared by the O-carboxymethylation reaction of the starting substituted phenols under microwave irradiation. Then, these compounds reacted with o-phenylendiamine to get the key intermediates 2-substituted phenoxymethyl benzimidazoles b1-b5. At last, the target compounds were synthesized by the N-hydroxyethylation reaction of b1-b5 with 2-chloroethyl alcohol through the solid-liquid phase transfer catalysis method, where tetrabutyl ammonium bromide (TBAB) was used as the catalyst. The structures of the target compounds were well characterized and verified by elemental analysis, MS, IR, 1H NMR, 13C NMR and single crystal X-ray diffraction analysis. (author)

  11. The Novel N-Substituted Benztropine Analog GA2-50 Possesses Pharmacokinetic and Pharmacodynamic Profiles Favorable for a Candidate Substitute Medication for Cocaine Abuse

    Science.gov (United States)

    OTHMAN, AHMED A.; NEWMAN, AMY H.; EDDINGTON, NATALIE D.

    2009-01-01

    GA2-50 is a novel N-substituted benztropine analog with improved potency and selectivity for the dopamine transporter. The pharmacokinetic and pharmacodynamic properties of GA2-50 were characterized as a part of its preclinical evaluation as a substitute medication for cocaine abuse. In vitro transport and metabolism studies as well as pharmacokinetic studies in rats were conducted. Effect of GA2-50 on the extracelluar nucleus accumbens (NAc) dopamine levels and on cocaine’s induced dopamine elevation was evaluated using intracerebral microdialysis. GA2-50 showed high transcellular permeability despite being a P-glycoprotein substrate. GA2-50 was a substrate of human CYP2D6, CYP2C19, CYP2E1, rat CYP2C11, CYP2D1, CYP3A1, and CYP1A2; with low intrinsic clearance values. In vivo, GA2-50 showed high brain uptake (Ri ~ 10), large volume of distribution (Vss =37 L/kg), and long elimination half-life (t½ =19 h). GA2-50 resulted in 1.6- and 2.7-fold dopamine elevation at the 5 and 10 mg/kg i.v. doses. Dopamine elevation induced by GA2-50 was significantly reduced, slower and longer lasting than previously observed for cocaine. GA2-50 had no significant effect on cocaine’s induced dopamine elevation upon simultaneous administration. Results from the present study indicate that GA2-50 possesses several attributes sought after for a substitute medication for cocaine abuse. PMID:18425847

  12. The application of headspace gas chromatography coupled to tandem quadrupole mass spectrometry for the analysis of furan in baby food samples.

    Science.gov (United States)

    Pugajeva, Iveta; Rozentale, Irina; Viksna, Arturs; Bartkiene, Elena; Bartkevics, Vadims

    2016-12-01

    Selective methodology employing a tandem quadrupole mass spectrometer coupled to a gas chromatograph with headspace autosampler (HS-GC-MS/MS) was elaborated in this study. Application of the elaborated procedure resulted in a limit of detection of 0.021μgkg(-1) and a limit of quantification of 0.071μgkg(-1). The mean recoveries during in-house validation ranged from 89% to 109%, and coefficients of variation for repeatability ranged from 4% to 11%. The proposed analytical method was applied for monitoring the furan content of 30 commercial baby food samples available on the Latvian retail market. The level of furan found in these samples varied from 0.45 to 81.9μgkg(-1), indicating that infants whose sole diet comprises baby food sold in jars and cans are exposed constantly to furan. Samples containing vegetables and meat had higher levels of furan than those containing only fruits. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. 3D-QSAR studies and molecular docking on [5-(4-amino-1 H-benzoimidazol-2-yl)-furan-2-yl]-phosphonic acid derivatives as fructose-1,6-biphophatase inhibitors

    Science.gov (United States)

    Lan, Ping; Xie, Mei-Qi; Yao, Yue-Mei; Chen, Wan-Na; Chen, Wei-Min

    2010-12-01

    Fructose-1,6-biphophatase has been regarded as a novel therapeutic target for the treatment of type 2 diabetes mellitus (T2DM). 3D-QSAR and docking studies were performed on a series of [5-(4-amino-1 H-benzoimidazol-2-yl)-furan-2-yl]-phosphonic acid derivatives as fructose-1,6-biphophatase inhibitors. The CoMFA and CoMSIA models using thirty-seven molecules in the training set gave r cv 2 values of 0.614 and 0.598, r 2 values of 0.950 and 0.928, respectively. The external validation indicated that our CoMFA and CoMSIA models possessed high predictive powers with r 0 2 values of 0.994 and 0.994, r m 2 values of 0.751 and 0.690, respectively. Molecular docking studies revealed that a phosphonic group was essential for binding to the receptor, and some key features were also identified. A set of forty new analogues were designed by utilizing the results revealed in the present study, and were predicted with significantly improved potencies in the developed models. The findings can be quite useful to aid the designing of new fructose-1,6-biphophatase inhibitors with improved biological response.

  14. Avaliação dietética de amidos pelas respostas glicêmica e insulinêmica em cães Dietary evaluation of starches through glycemic and insulinemic responses in healthy dogs

    Directory of Open Access Journals (Sweden)

    G.B. Silveira

    2004-10-01

    Full Text Available Avaliaram-se, em cães saudáveis, os efeitos da fonte e do tipo de processamento do amido presente no alimento sobre as concentrações de insulina e glicose plasmáticas pós-prandiais. Foram utilizados oito cães da raça Beagle, adultos, alimentados com quatro regimes: amido cru de trigo (ACT, amido gelatinizado de trigo (AGT, amido cru de mandioca (ACM e amido gelatinizado de mandioca (AGM. As amostras de sangue foram coletadas mediante punção da veia braquial aos 0, 70, 140, 250 e 360 minutos pós-prandiais. O regime não influenciou a glicemia, mas alterou a concentração sangüínea de insulina (PThe effects of both starch source and processing in dog chow on postprandial plasma glucose and insulin concentrations in eight healthy adult Beagle dogs fed on four dietary regimens, raw wheat starch (RWS, gelatinized wheat starch (GWS, raw cassava starch (RCS and gelatinized cassava starch (GCS were studied. Blood samples were collected by brachial vein puncture at 0, 70, 140, 250 and 360 minutes postprandially. The diet had no influence on glycemia, but changed serum insulin concentration (P<0.05. Total areas under the insulinemic curve did not differ for RWS and GCS diets, but they were larger than those for GWS and RCS, as a result of the viscosity of GWS and of the resistance to enzymatic attack of RCS diet. These results suggest that GWS diet could be indicated to minimize the insulinic postprandial response and to maintain the euglycemia.

  15. Synthesis of heterocycles: Indolo (2,1-a) isoquinolines, renewables, and aptamer ligands for cellular imaging

    Energy Technology Data Exchange (ETDEWEB)

    Beasley, Jonathan [Ames Laboratory (AMES), Ames, IA (United States)

    2013-01-01

    In this thesis, we explore both total syntheses and methodologies of several aromatic heterocyclic molecules. Extensions of the Kraus indole synthesis toward 2-substituted and 2,3-disubstituted indoles, as well as biologically attractive indolo[2,1-a]isoquinolines are described. Recent renewable efforts directed to commodity maleic acid and the first reported furan-based ionic liquids are described. Our total synthesis of mRNA aptamer ligand PDC-Gly, and its dye coupled forms, plus aminoglycoside dye coupled ligands used in molecular imaging, are described.

  16. Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.

    Science.gov (United States)

    Cueny, Eric S; Johnson, Heather C; Anding, Bernie J; Landis, Clark R

    2017-08-30

    Chromophore quench-labeling applied to 1-octene polymerization as catalyzed by hafnium-pyridyl amido precursors enables quantification of the amount of active catalyst and observation of the molecular weight distribution (MWD) of Hf-bound polymers via UV-GPC analysis. Comparison of the UV-detected MWD with the MWD of the "bulk" (all polymers, from RI-GPC analysis) provides important mechanistic information. The time evolution of the dual-detection GPC data, concentration of active catalyst, and monomer consumption suggests optimal activation conditions for the Hf pre-catalyst in the presence of the activator [Ph 3 C][B(C 6 F 5 ) 4 ]. The chromophore quench-labeling agents do not react with the chain-transfer agent ZnEt 2 under the reaction conditions. Thus, Hf-bound polymeryls are selectively labeled in the presence of zinc-polymeryls. Quench-labeling studies in the presence of ZnEt 2 reveal that ZnEt 2 does not influence the rate of propagation at the Hf center, and chain transfer of Hf-bound polymers to ZnEt 2 is fast and quasi-irreversible. The quench-label techniques represent a means to study commercial polymerization catalysts that operate with high efficiency at low catalyst concentrations without the need for specialized equipment.

  17. High-temperature Thermoelectric and Microstructural Characteristics of Ga Substituted on the Co-site in Cobalt-based Oxides

    DEFF Research Database (Denmark)

    Van Nong, Ngo; Yanagiya, S.; Sonne, Monica

    2011-01-01

    The effects of Ga substitution on the Co-site on the high-temperature thermoelectric properties and microstructure are investigated for the misfitlayered Ca3Co4O9 and the complex perovskite-related Sr3RECo4O10.5 (RE = rare earth) cobalt-based oxides. For both systems, substitution of Ga for Co...... results in a simultaneous increase in the Seebeck coefficient (S) and the electrical conductivity (σ), and the influence is more significant in the high temperature region. The power factor (S 2 σ) is thereby remarkably improved by Ga substitution, particularly at high temperatures. Texture factor......0.05O9 shows the best ZT value of 0.45 at 1200 K, which is about 87.5% higher than the nondoped one, a considerable improvement....

  18. Comprehensive study of out-of-plane transport properties in BaFe2As2 : Three-dimensional electronic state and effect of chemical substitution

    Science.gov (United States)

    Nakajima, M.; Nagafuchi, M.; Tajima, S.

    2018-03-01

    We investigated the out-of-plane transport properties of parent and chemically substituted BaFe2As2 for various types of substitution. Based on the studies of the Hall coefficient and chemical-substitution effect, we have clarified the origin for the unusual temperature dependence of out-of-plane resistivity ρc(T ) in the high-temperature paramagnetic-tetragonal phase. Electron (hole) carriers have an incoherent (coherent) character, which is responsible for nonmetallic (metallic) ρc(T ) . Although the electron and hole contributions are almost comparable, a slightly larger contribution comes from electrons at high temperatures but from holes at low temperatures, resulting in a maximum in ρc(T ) . In the low-temperature antiferromagnetic-orthorhombic phase, the major effect of substitution is to increase the residual-resistivity component, as in the case for the in-plane transport. In particular, Co atoms substituted for Fe give rise to strong scattering with large ac anisotropy. We found that K substitution induces a nonmetallic behavior in ρc(T ) at low temperatures, which is likely due to a weakly localized nature along the c -axis direction.

  19. Synthesis of a chelate resin with amido and phosphoric acid and its character in uranium extraction

    International Nuclear Information System (INIS)

    Qiu Yueshuang; Zhang Jianguo; Feng Yu; Zhao Chaoya

    2013-01-01

    A chelate resin (D814) with amido and phosphoric acid functional group was synthetized by means of the reactions of stytene-divinyl benzene chloromethylated sphere with ethylenedianmine and orth-phosphorous acid and formaldehyde. This resin can be used to adsorb uranium from leaching solution with high chloride ion in the rang of pH l.33-9.05, and the adsorption rate of uranium was above 95%. D814 resin had a good ability resistant to high chloride ion. The loading capacity for uranium was not apparently effected when chlorid ion concentration in solution was 60 g/L. The results of the adsorption experiment show that when the ratio of saturation volume to breakthrough volume was l.82, the uranium saturation capacity of D814 was 40.5 mg/g dry resin. NaCl + NaHCO 3 was used for eluting agent, and the eluting rate of uranium was 96.7%. Adsorption uranium mechanism by D814 was also discussed. (authors)

  20. One-Pot Conversion of Carbohydrates into Furan Derivatives via Furfural and 5-Hydroxylmethylfurfural as Intermediates.

    Science.gov (United States)

    Liu, Bing; Zhang, Zehui

    2016-08-23

    Recently, there has been growing interest in the transformation of renewable biomass into value-added fuels and chemicals. The catalytic conversion of naturally abundant carbohydrates can generate two-important furan chemicals: 5-hydroxymethylfurfural (HMF) from C6 carbohydrates and furfural from C5 carbohydrates. Both HMF and furfural have received great interest as precursors in the synthesis of commodity chemicals and liquid fuels. In recent years, a trend has emerged to integrate sequential catalytic processes involving multistep reactions for the direct one-pot transformation of carbohydrates into the aimed fuels and chemicals. One-pot reactions have remarkably unique and environmentally friendly benefits, including the fact that isolation and purification of intermediate compounds can be avoided. Herein, the present article aims to review recent advances in the one-pot conversion of carbohydrates into furan derivatives via furfural and HMF as intermediates. Special attention will be paid to the catalytic systems, mechanistic insight, reaction pathways, and catalyst stability. It is expected that this review will guide researchers to develop effective catalytic systems for the one-pot transformation of carbohydrates into furan derivatives. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Dioxin/ Furan Level in the Malaysian Oil Palm Environment

    International Nuclear Information System (INIS)

    Tuan Fauzan Tuan Omar; Ainie Kuntom; Aishah Abdul Latiff

    2013-01-01

    Environmental samples collected from oil palm premises were evaluated for dioxins/ furans contamination. The samplings were carried out at oil palm premises located in Banting (Premise A) and in Teluk Intan (Premise B), involving two environmental matrices namely ambient air and soil. The soil samples were collected in the plantations while ambient air samples were collected in the vicinity of the mills and refineries. The results of the analyses showed that the level of dioxins/ furans in ambient air were generally higher in oil palm premise located adjacent to industrial establishments. The concentration levels at premise A mill and refinery located adjacent to industrial establishments, ranged from 64.14 WHO-TEQ fg m -3 to 131.87 WHO-TEQ fg m -3 , while for premise B mill and refinery located in the rural area, ranged from 9.93 WHO-TEQ fg m -3 to 16.66 WHO-TEQ fg m -3 . Meanwhile for soil samples, the highest concentrations were recorded in soil collected near roads used heavily by vehicles. The concentration levels of soil samples collected at premise A and premise B plantations ranged from 1.910 WHO-TEQ pg g -1 dry weight to 3.305 WHO-TEQ pg g -1 dry weight. (author)

  2. Caracterização de amidos de mandioca nativos e modificados e utilização em produtos panificados Characterization of native and modified cassava starches and their use in baked products

    Directory of Open Access Journals (Sweden)

    Krischina Singer Aplevicz

    2007-09-01

    Full Text Available O amido de mandioca é utilizado como ingrediente principal na fabricação de biscoitos e pão de queijo. O polvilho azedo é um produto artesanal, sem padrão de qualidade estabelecido, com problemas de higiene em seu processamento e de oferta. O trabalho teve como objetivo caracterizar amidos de mandioca nativos e modificados e testá-los na elaboração de pão de queijo e biscoito de polvilho. As principais características que diferem o polvilho azedo do amido de mandioca nativo, também denominado polvilho doce são: acidez, grau de expansão, viscosidade, claridade de pasta, sinérese e poder redutor. Foram aplicados nos produtos panificados quatro tipos de amidos, sendo polvilho doce, azedo, amido modificado com peróxido de hidrogênio e amido modificado comercial Expandex® 160003. Obtidos os produtos panificados, foi determinada a composição físico-química e observado que os tipos de amidos influenciaram nas características internas, externas e no sabor. Os produtos panificados foram submetidos à análise sensorial de aceitabilidade, utilizando-se a escala hedônica de nove pontos, com provadores não-treinados. As amostras de pão de queijo contendo amido modificado oxidado com peróxido de hidrogênio foram as que apresentaram o melhor resultado entre as formulações. Para as amostras de biscoito de polvilho, as elaboradas com polvilho azedo e com Expandex® 160003 foram superiores e não diferiram estatisticamente.Cassava starch is used as the main ingredient in the production of biscuits and Brazilian cheese bread. The processing and sale of sour cassava starch - an artisanal product with no established standard of quality - is marked by hygiene problems and its commercial availability is uncertain. The purpose of this study was to characterize native and modified cassava starches and test them in cheese bread and cassava starch biscuit recipes. The main characteristics that differentiate sour starch from native cassava

  3. An efficient solvent-free synthesis of meso-substituted dipyrromethanes using SnCl22H2O catalysis

    Directory of Open Access Journals (Sweden)

    Kabeer Ahmed Shaikh

    2012-07-01

    Full Text Available Highly rapid and simple methodology has been developed for the quantitative synthesis of meso-substituted dipyrromethanes from lowest pyrrole/aldehyde ratio. The method was carried out by using SnCl22H2O as a catalyst under solvent free condition. The method is environmentally friendly, easy to workup, and gives excellent yield of the products.

  4. Simple, mild, and highly efficient synthesis of 2-substituted benzimidazoles and bis-benzimidazoles

    International Nuclear Information System (INIS)

    Eren, Bilge; Bekdemir, Yunus

    2014-01-01

    A new convenient method for preparation of 2-substituted benzimidazoles and bis-benzimidazoles is presented. In this method, o-phenylenediamines were condensed with bisulfite adducts of various aldehydes and di-aldehydes under neat conditions by microwave heating. The results were also compared with results of synthesis by conventional heating under reflux. Structures of the products were confirmed by infrared, 1 H- and 13 C-NMR spectroscopy. Short reaction times, good yields, easy purification of products, and mild reaction conditions are the main advantages of this method. (author)

  5. Substituting freshwater: Can ocean desalination and water recycling capacities substitute for groundwater depletion in California?

    Science.gov (United States)

    Badiuzzaman, Pierre; McLaughlin, Eoin; McCauley, Darren

    2017-12-01

    While the sustainability of resource depletion is a longstanding environmental concern, wider attention has recently been given to growing water scarcity and groundwater depletion. This study seeks to test the substitutability assumption embedded in weak sustainability indicators using a case study of Californian water supply. The volume of groundwater depletion is used as a proxy for unsustainable water consumption, and defined by synthesising existing research estimates into low, medium and high depletion baselines. These are compared against projected water supply increases from ocean desalination and water recycling by 2035, to determine whether new, drought-proof water sources can substitute for currently unsustainable groundwater consumption. Results show that the maximum projected supply of new water, 2.47 million acre-feet per year (MAF/yr), is sufficient to meet low depletion estimates of 2.02 MAF/yr, but fails to come near the high depletion estimate of 3.44 MAF/yr. This does not necessarily indicate physical limitations of substitutability, but more so socio-economic limitations influenced by high comparative costs. By including capacities in demand-substitutability via urban water conservation, maximum predicted capacities reach 5.57 MAF/yr, indicating wide room for substitution. Based on these results, investment in social and institutional capital is an important factor to enhance demand-side substitutability of water and other natural resources, which has been somewhat neglected by the literature on the substitutability of natural resources. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Synthesis of novel plant oil derivatives: Furan and Diels-Alder reaction products

    Science.gov (United States)

    Plant oils are useful sustainable raw materials for the development of new chemical products. In this work epoxidized soybean oil was treated with different acids, and variable amounts of furan structures were produced from the epoxidized linoleate moiety. From process studies, the highest yields of...

  7. Phenazine containing indeno-furan based colorimetric and “on–off” fluorescent sensor for the detection of Cu{sup 2+} and Pb{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Aggarwal, Komal; Khurana, Jitender M., E-mail: jmkhurana1@yahoo.co.in

    2015-11-15

    A new fluorescent sensor 10a,15a-dihydroxy-10aH-benzo[a]indeno[2′,1′:4,5]furo[2,3-c]phenazin-15 (15aH)-one (1) based on the combination of phenazine and indenofuran moieties was designed and synthesized. Structure of the synthesized sensor has been confirmed by X-ray crystallographic analysis. Absorption and emission spectra of 1 has been studied in solvents of different polarity. The solvent effect on the spectral properties of 1 has been investigated by using the Lippert–Mataga and Reichardt–Dimroth methods. It exhibits high sensitivity and selectivity towards Cu{sup 2+} and Pb{sup 2+} ions over other metal ions by fluorescence quenching. Sensor 1 exhibited a visible color change from light orange to pink, and yellow in the presence of Cu{sup 2+} and Pb{sup 2+}, respectively. The fluorescence of the 1-Cu{sup 2+}/Pb{sup 2+} complexes can be reversibly restored to that of the uncomplexed ligand by using EDTA. Binding stoichiometry and mechanism of Cu{sup 2+} and Pb{sup 2+} ions detection have been investigated. The linear range for the synthesized sensor was found to be 1×10{sup −6}–6.31×10{sup −5} M with detection limit of 1.3×10{sup −6} M. Theoretical calculations were employed to understand the sensing mechanism of the sensors towards Cu{sup 2+}. - Highlights: • A new indeno-furan based “on–off” sensor for detection of Cu{sup 2+} and Pb{sup 2+} has been synthesized. • 1 shows naked-eye visible color changes upon interaction with Cu{sup 2+} and Pb{sup 2+}. • The complex formation of 1 with Cu{sup 2+} and Pb{sup 2+} could be reversed by addition of EDTA.

  8. Preliminary assessment of the risk linked to furan ingestion by babies consuming only ready-to-eat food.

    Science.gov (United States)

    Scholl, Georges; Humblet, Marie-France; Scippo, Marie-Louise; De Pauw, Edwin; Eppe, Gauthier; Saegerman, Claude

    2013-01-01

    The risk linked to furan ingestion has been assessed in previous papers for Belgian adults and children. The present paper focuses on infants consuming only ready-to-eat baby food. As there is no Belgian baby dietary database, the furan exposure assessment was carried out by using an Italian infant consumption database and Belgian contamination data. The estimated daily intake (EDI) was calculated according to a deterministic methodology. It involved 42 commercially available ready-to-eat baby food and 36 baby consumption records. The mean EDI was 1460 ng*(kg(bw)*day)⁻¹ which is 3.8 times higher than the 381 ng*(kg(bw)*day)⁻¹ reported for Belgian adults, and 3.5 times higher than the 419 ng*(kg(bw)*day)⁻¹ measured for Belgian children. To assess and characterise the risk for babies' exposure, the margin of exposure (MoE) was calculated. It highlighted that 74% of infants have a MoE < 1000, with a minimum of 140. However, these are only preliminary results as they were calculated from a very small dataset and the infant cytochrome P450 activity is significantly different compared with the adult's. Therefore, the risk linked to furan ingestion by babies should be assessed in a different manner. To this end, additional data regarding a baby diet as well as a better understanding of furan toxicity for babies are needed to characterise more accurately the risk for infants.

  9. Srtucture and properties of intracomplexes of 2-substituted 8-mercaptoquinoline derivatives

    International Nuclear Information System (INIS)

    Sturis, A.P.; Bankovskij, Yu.A.; Pech, L.Ya.

    1990-01-01

    The results of investigation of the molecular and crystal structure of 2-substituted 8-mercaptoquinoline internal complexes (in particular complexes of cadmium and indium) have been reviewed. Substitution of hydrogen atom in o-position in relation to the nitrogen atom in the ligand molecule causes the steric hindrance in the molecules of complexes. Due to it the changes in structure of the central atom coordination center in the MR 2 complexes from the planar (8-mercaptoquinolinates) to the distored tetrahedral (2-substituted 8-mercaptoquinolinates) occur. The ascertainment of such effect allows to explain the changes in physicochemical properties of 2-substituted 8-mercaptoquinolinates (hypsochromic shift of absorption maxima, decrease of the amount of ligands connected to the central atom, decrease of stability, increase of solubility in organic solvents) in comparison with 8-mercaptoquinolinates

  10. Granules morphology and rheological behavior of green banana (Musa cavendishii and corn (Zea mays starch gels Morfologia dos grânulos e comportamento reológico dos géis de amido de banana verde (Musa cavendishii e milho (Zea mays

    Directory of Open Access Journals (Sweden)

    Dayane Rosalyn Izidoro

    2007-10-01

    Full Text Available In this work, it was used starch obtained from green banana (Musa cavendishii and commercial corn (Zea mays starch in order to compare the granule morphology and the rheological behavior of these gel-starches. Images of starch granules morphology were obtained from scanning electron microscope (SEM. The banana starch granules presented an oval and ellipsoidal shape with irregular diameters. Neverthless, the granules of corn starch showed a poliedric shape, with different sizes. The rheological behavior of gel starch solutions showed a non-newtonian character with a pseudoplastic behavior. Herschel-Bulkley model gave a good description on the rheological behavior of the gel starch. Banana gel-starch solutions showed higher values of shear stress and apparent viscosity when compared with corn gel-starch solutions. A progressive decrease in shear stress and viscosity occurred with the addition of sodium chloride and sucrose.No presente trabalho foi utilizado amido obtido de banana verde (Musa cavendishii e amido de milho (Zea mays comercial, com o objetivo de comparar a morfologia dos grânulos e o comportamento reológico dos géis. As imagens da morfologia dos grânulos foram obtidas por microscopia eletrônica de varredura. Os grânulos de amido da banana apresentaram forma oval e elipsoidal com diâmetros irregulares, todavia, os grânulos do amido de milho mostraram forma poliédrica e diferentes tamanhos. As análises reológicas dos géis das soluções de amido mostraram caráter não-newtoniano, pseudoplástico. O modelo de Herschel-Bulkley foi o que melhor representou comportamento reológico dos géis. O gel de amido de banana verde obteve maiores valores de tensão de cisalhamento e viscosidade aparente quando comparada ao gel de amido de milho. Ocorreu um decréscimo progressivo na tensão de cisalhamento e na viscosidade com a adição de cloreto de sódio e sacarose aos géis.

  11. Effect of addition of different hydrocolloids on pasting, thermal, and rheological properties of cassava starch Efeito da adição de diferentes hidrocoloides sobre as propriedades de pasta, térmicas e reológicas do amido de mandioca

    Directory of Open Access Journals (Sweden)

    Tatiana Dias Leite

    2012-09-01

    Full Text Available Starches and gums are hydrocolloids frequently used in food systems to provide proper texture, moisture, and water mobility. Starch-gum interaction in food systems can change the starch granule swelling and its gelatinization and rheological properties. In this study, the effect of the addition of xanthan gum (XG, sodium carboxymethyl cellulose (SCMC, and carrageenan (CAR at the concentrations of the 0.15, 0.25, 0.35 and 0.45% (w/v on the pasting, thermal, and rheological properties of cassava starch was studied. The swelling power (SP and the scanning electron microscopy (SEM of the starch gels were also evaluated. The results obtained showed that xanthan gum (XG had a strong interaction with the cassava starch penetrating between starch granules causing increase in pasting viscosities, SP, storage and loss (G', and G", respectively modulus and reduction in the setback of the starch; sodium carboxymethyl cellulose (SCMC greatly increased the pasting viscosities, the SP, and the storage and loss (G', and G", respectively modulus of the starch-mixtures, mainly due to its greater capacity to hold water and not due to the interaction with cassava starch. Carrageenan (CAR did not change any of the starch properties since there was no interaction between this gum and cassava starch at the concentrations used.Amidos e gomas são hidrocoloides frequentemente usados em sistemas alimentícios com a finalidade de fornecer textura, umidade e mobilidade de água. A interação amido-goma em sistemas alimentícios pode alterar o inchamento do grânulo de amido e as suas propriedades de gelatinização e reológicas. Neste trabalho, o efeito da adição de goma xantana (GX, carboximetilcelulose sódica (CMC e carragena (CAR nas concentrações de 0,15, 0,25, 0,35 e 0,45% (p/v sobre as propriedades de pasta, térmicas e reológicas do amido de mandioca foi estudado. O Poder de inchamento (PI e a Microscopia Eletrônica de Varredura (MEV dos géis de amido tamb

  12. Synthesis of 2-substituted tryptophans via a C3- to C2-alkyl migration

    Directory of Open Access Journals (Sweden)

    Michele Mari

    2014-08-01

    Full Text Available The reaction of 3-substituted indoles with dehydroalanine (Dha derivatives under Lewis acid-mediated conditions has been investigated. The formation of 2-substituted tryptophans is proposed to occur through a selective alkylative dearomatization–cyclization followed by C3- to C2-alkyl migration and rearomatization.

  13. Determinação da cor, imagem superficial topográfica e ângulo de contato de biofilmes de diferentes fontes de amido Determination of color, topographic superficial image and contact angle of the biofilms of different starch sources

    Directory of Open Access Journals (Sweden)

    Washington Azevêdo da Silva

    2007-02-01

    Full Text Available Atualmente, um dos problemas que acometem o meio ambiente é a poluição ocasionada pelo descarte de filmes plásticos de polímeros sintéticos sem nenhum controle. Uma das alternativas para minimizar este problema é a utilização de amido na elaboração de materiais biodegradáveis que possuem alta degradabilidade quando lançados no meio ambiente. Apesar do número crescente de trabalhos de pesquisas utilizando diferentes materiais biodegradáveis, o conhecimento das propriedades físicas de biofilmes elaborados com amido ainda é bastante reduzido. Objetivou-se com este trabalho determinar a diferença de cor, a imagem superficial topográfica por microscopia eletrônica de varredura e o ângulo de contato de biofilmes elaborados com três diferentes tipos de amido: filme de fécula de batata (FFB, filme de fécula de mandioca (FFM e filme de amido de milho (FAM com três concentrações: 1, 2 e 3% empregando-se um delineamento inteiramente casualizado com três repetições. A interação concentração e tipo de amido foi estatisticamente significativa para ângulo de contato e não significativa para a diferença de cor. A diferença de cor foi afetada pela fonte de amido e o maior valor observado para filme de fécula de mandioca. Com o aumento da concentração de amido, o ângulo de contato diminuiu para filmes de fécula de mandioca e de batata, diferentemente para os biofilmes de milho, onde esta relação foi constante.Nowadays, the pollution has considerably increased by the large amount of the non-degradable synthetic plastics that is discarded everyday in the environment. One of the alternatives that could contribute to minimize this problem would be the use of the starch as main composite in biodegradable films also called biofilms; in other words, this material is easily degradable when disposed in the environment. Despite the growing number of the scientific papers there is a lack of knowledge of the physical properties of

  14. N-Heterocyclic Carbene-Catalyzed Vinylogous Mukaiyama Aldol Reaction of α-Keto Esters and α-Trifluoromethyl Ketones

    KAUST Repository

    Du, Guang-Fen; Wang, Ying; Xing, Fen; Xue, Mei; Guo, Xu-Hong; Huang, Kuo-Wei; Dai, Bin

    2015-01-01

    © Georg Thieme Verlag Stuttgart · New York · Synthesis 2016. N-Heterocyclic carbene (NHC)-catalyzed vinylogous Mukaiyama aldol reaction of ketones was developed. Under the catalysis of 5 mol% NHC, α-keto esters and α-trifluoromethyl ketones reacted with 2-(trimethysilyloxy)furan efficiently to produce γ-substituted butenolides containing adjacent quaternary and tertiary carbon centers in high yields with good diastereoselectivities.

  15. Simple, mild, and highly efficient synthesis of 2-substituted benzimidazoles and bis-benzimidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Eren, Bilge, E-mail: bilge.eren@bilecik.edu.tr [Faculty of Science and Arts, Department of Chemistry, Bilecik Seyh Edebali University, (Turkey); Bekdemir, Yunus [Faculty of Science and Arts, Canik Basari University, Samsun (Turkey)

    2014-07-01

    A new convenient method for preparation of 2-substituted benzimidazoles and bis-benzimidazoles is presented. In this method, o-phenylenediamines were condensed with bisulfite adducts of various aldehydes and di-aldehydes under neat conditions by microwave heating. The results were also compared with results of synthesis by conventional heating under reflux. Structures of the products were confirmed by infrared, {sup 1}H- and {sup 13}C-NMR spectroscopy. Short reaction times, good yields, easy purification of products, and mild reaction conditions are the main advantages of this method. (author)

  16. Simple, mild, and highly efficient synthesis of 2-substituted benzimidazoles and bis-benzimidazoles

    Directory of Open Access Journals (Sweden)

    Bilge Eren

    2014-01-01

    Full Text Available A new convenient method for preparation of 2-substituted benzimidazoles and bis-benzimidazoles is presented. In this method, o-phenylenediamines were condensed with bisulfite adducts of various aldehydes and di-aldehydes under neat conditions by microwave heating. The results were also compared with results of synthesis by conventional heating under reflux. Structures of the products were confirmed by infrared, ¹H- and 13C-NMR spectroscopy. Short reaction times, good yields, easy purification of products, and mild reaction conditions are the main advantages of this method.

  17. Pd/NbOPO₄ multifunctional catalyst for the direct production of liquid alkanes from aldol adducts of furans.

    Science.gov (United States)

    Xia, Qi-Neng; Cuan, Qian; Liu, Xiao-Hui; Gong, Xue-Qing; Lu, Guan-Zhong; Wang, Yan-Qin

    2014-09-08

    Great efforts have been made to convert renewable biomass into transportation fuels. Herein, we report the novel properties of NbO(x)-based catalysts in the hydrodeoxygenation of furan-derived adducts to liquid alkanes. Excellent activity and stability were observed with almost no decrease in octane yield (>90% throughout) in a 256 h time-on-stream test. Experimental and theoretical studies showed that NbO(x) species play the key role in C-O bond cleavage. As a multifunctional catalyst, Pd/NbOPO4 plays three roles in the conversion of aldol adducts into alkanes: 1) The noble metal (in this case Pd) is the active center for hydrogenation; 2) NbO(x) species help to cleave the C-O bond, especially of the tetrahydrofuran ring; and 3) a niobium-based solid acid catalyzes the dehydration, thus enabling the quantitative conversion of furan-derived adducts into alkanes under mild conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Cariogenicity of the combination of sucrose with starch and effect of fluoride toothpaste on enamel and dentine demineralization = : Cariogenicidade da combinação de sacarose com amido e efeito de dentifrício fluoretado na desmineralização de esmalte e dentina

    OpenAIRE

    Juliana Nunes Botelho

    2014-01-01

    Resumo: Sacarose é o carboidrato mais cariogênico da dieta e o amido é considerado não cariogênico para esmalte e moderadamente cariogênico para dentina. Por outro lado, a combinação de amido e sacarose (amido+sacarose) tem sido considerada mais cariogênica que apenas sacarose, mas esse ainda é um assunto em debate. Além do mais, o efeito do dentifrício fluoretado na cariogenicidade dessa combinação é desconhecido. Assim, com o objetivo de estudar esse assunto três experimentos foram conduzid...

  19. The substitution reaction of (CNC)Fe-2N₂ with CO.

    Science.gov (United States)

    Liu, Hongyan; Liu, Shuangshuang; Zhang, Xiang

    2013-06-01

    The substitution mechanism of two N₂ ligands in (CNC)Fe-2N₂ replaced by CO was studied theoretically at the B3LYP/LACVP* level. Both SN1 and SN₂ mechanisms were considered. The calculated results for the gas phase suggested that: 1) in SN1 mechanism, N₂ elimination, which involves S₀-T₁ PESs crossing, is the rate control step for both substitution stages. The barrier heights are 9.7 kcal mol(-1) and 13.05 kcal mol(-1), respectively. 2) In SN2 mechanism, the calculated barrier heights on LS PES are respectively 13.7 and 19.83 kcal mol(-1) for the two substitution steps, but S₀-T₁ PESs crossing lowers the two barriers to 10.7 and 15.7 kcal mol(-1), respectively. 3) Inclusion of solvation effect of THF by PCM model, the relative energies of all the key species (including minima, transition states and S₀-T₁ crossing points) do not have great difference from their gas phase relative energies. Considering that for each substitution step, SN1 barrier heights is slightly smaller than SN2 barrier, SN1 mechanism seems to be slightly preferable to SN2 mechanism.

  20. Tuning of superconductivity by Ni substitution into noncentrosymmetric ThC o1 -xN ixC2

    Science.gov (United States)

    Grant, T. W.; Cigarroa, O. V.; Rosa, P. F. S.; Machado, A. J. S.; Fisk, Z.

    2017-07-01

    The recently discovered noncentrosymmetric superconductor ThCoC2 was observed to show unusual superconducting behavior with a critical temperature of Tc=2.65 K . Here we investigate the effect of nickel substitution on the superconducting state in ThC o1 -xN ixC2 . Magnetization, resistivity, and heat capacity measurements demonstrate Ni substitution has a dramatic effect with critical temperature increased up to Tc=12.1 K for x =0.4 Ni concentration, which is a rather high transition temperature for a noncentrosymmetric superconductor. In addition, the unusual superconducting characteristics observed in pure ThCoC2 appear to be suppressed or tuned with Ni substitution towards a more conventional fully gapped superconductor.

  1. Synthesis of 3-substituted 5-arylidene-1-methyl-2-thiohydantoins under microwave irradiation

    DEFF Research Database (Denmark)

    Khodari, A.I.; Nielsen, John

    2002-01-01

    A mono-modal microwave oven was used to expedite the synthesis of small libraries of 3-substituted 1-methyl-2-thiohydantoins and 3-substituted 5-arylidene-1-methyl-2-thiohydantoins. In comparison with the traditional reflux methods, similar or higher yields were obtained.......A mono-modal microwave oven was used to expedite the synthesis of small libraries of 3-substituted 1-methyl-2-thiohydantoins and 3-substituted 5-arylidene-1-methyl-2-thiohydantoins. In comparison with the traditional reflux methods, similar or higher yields were obtained....

  2. Palladium-Catalyzed Asymmetric Allylic Alkylation of 4-Substituted Isoxazolidin-5-ones: Straightforward Access to β2,2 -Amino Acids.

    Science.gov (United States)

    Nascimento de Oliveira, Marllon; Arseniyadis, Stellios; Cossy, Janine

    2018-04-03

    We report here an unprecedented and highly enantioselective palladium-catalyzed allylic alkylation applied to 4-substituted isoxazolidin-5-ones. Ultimately, the process provides a straightforward access to β 2,2 -amino acids bearing an all-carbon quaternary stereogenic center in great yields and a high degree of enantioselectivity. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Partial substitution of Zn Effects on the Structural and Electrical Properties of High Temperature Hg0.95Ag0.05Ba2Ca2Cu3O8+δ Superconductors

    Science.gov (United States)

    Abed, Noor S.; Fathi, Sabah J.; Jassim, Kareem A.; Mahdi, Shatha H.

    2018-05-01

    The effect of the Ag partial substitution at Hg site in HgOδ layer and Zn partial substitution at Ca site in CaO layer on the structure,Tc,electrical properties, and oxygen content for Hg-1223 have been studied. Bulk polycrystalline Hg1-xAgxBa2Ca2-yZnyCu3O8+δ compound samples with x=0.05 and y=0.0, 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3, are synthesized by a solid state reaction process. Structural properties are studied by using X-ray powder pattern, the high temperature phase superconductor (Hg-1223) of the tetragonal structure didn't change with the partial substitution of Zn and Ag ions, lattice parameters c,c/a are established to vary with Ag and Zn- substitution. The surface morphology has been studied by using atomic force microscopes (AFM), showed that all specimens have good crystalline and homogeneous surface. Also give a best nano size value is 75.72 nm at x=0.05 and y=0.3. Four probe technique is used to measure Tc. The Tc were found to be increases from 129 K to 147 K and oxygen content were found to be increases with increasing Zn. In addition, dielectric properties (dielectric constant, dielectric loss factor, and the alternating electrical conductivity) are characterized directly by relating with Ag and Zn concentration.

  4. Estudo da adição de vital glúten à farinha de arroz, farinha de aveia e amido de trigo na qualidade de pães

    OpenAIRE

    TEDRUS,Guilherme de A. S.; ORMENESE,Rita de Cássia S. Celeste; SPERANZA,Sandra Maria; CHANG,Yoon K.; BUSTOS,Fernando M.

    2001-01-01

    Farinhas de arroz e de aveia e amido de trigo foram adicionados de vital glúten e avaliados pelo Teste de Panificação. Usou-se como padrão uma amostra de farinha de trigo com características adequadas para produção de pão. Os níveis de adição de vital glúten foram de 10, 15, 17,5, 20 e 30% para a farinha de arroz e de 10, 20 e 30% para a farinha de aveia. Ao amido de trigo, extraído da farinha de trigo utilizada como padrão, foi adicionado vital glúten de forma a reconstituir o teor de glúten...

  5. Discovery of N-(Naphtho[1,2-b]Furan-5-Yl Benzenesulfonamides as Novel Selective Inhibitors of Triple-Negative Breast Cancer (TNBC

    Directory of Open Access Journals (Sweden)

    Ya Chen

    2018-03-01

    Full Text Available Any type of breast cancer not expressing genes of the estrogen receptor (ER, progesterone receptor (PR, or human epidermal growth factor receptor 2 (HER2 is referred to as triple-negative breast cancer (TNBC. Accordingly, TNBCs do not respond to hormonal therapies or medicines targeting the ER, PR, or HER2. Systemic chemotherapy is therefore the only treatment option available today and prognoses remain poor. We report the discovery and characterization of N-(naphtho[1,2-b]furan-5-ylbenzenesulfonamides as selective inhibitors of TNBCs. These inhibitors were identified by virtual screening and inhibited different TNBC cell lines with IC50 values of 2–3 μM. The compounds did not inhibit normal (i.e. MCF-7 and MCF-10A cells in vitro, indicating their selectivity against TNBC cells. Considering the selectivity of these inhibitors for TNBC, these compounds and analogs can serve as a promising starting point for further research on effective TNBC inhibitors.

  6. One-pot, three-component synthesis of highly substituted pyridines ...

    Indian Academy of Sciences (India)

    Administrator

    trile in the presence of nanocrystalline magnesium oxide provides the highly substituted pyridine derivatives in moderate to ..... NAP–MgO (0⋅1 g), ethanol (5 mL) at reflux temperature b ... difference in the electronic and steric properties of.

  7. Potassium Hydroxide Impregnated Alumina (KOH-Alumina) as a Recyclable Catalyst for the Solvent-Free Multicomponent Synthesis of Highly Functionalized Substituted Pyridazines and/or Substituted Pyridazin-3(2H)-ones under Microwave Irradiation.

    Science.gov (United States)

    Mecadon, Hormi; Myrboh, Bekington

    2011-01-01

    The work described herein employs potassium hydroxide impregnated alumina (KOH-alumina) as a mild, efficient, and recyclable catalyst for a one-pot solvent-free and environmentally safer synthesis of 3,4,6-triarylpyridazines and some substituted pyridazines from active methylene carbonyl species, 1,2-dicarbonyls, and hydrazine hydrate by microwave (MW) irradiation. The method offers highly convergent, inexpensive, and functionality-tolerable procedure for rapid access to important pyridazine compounds in good yields.

  8. Possibilities of Formation of Dioxins and Furans in Metallurgical Processes as well as Methods of their Reduction

    Directory of Open Access Journals (Sweden)

    Holtzer, M.

    2007-01-01

    Full Text Available The metallurgical industry, among others, generates various kinds of wastes: gaseous, dusts, wastes and sewage. Special attention of the European Union is directed towards the elimination or significant reduction of the gaseous-dust contamination emissions including the most hazardous compounds, such as dioxins and furans. In the article the sources of dioxins and furans in metallurgical industry are described along with the reduction methods of these pollutants. Particularly the activities recommended as the Best Available Techniques (BAT in order to reduce the PCDD/PCDF emission from sintering processes, non-ferrous metallurgy and foundry engineering have been presented.

  9. Otimização das condições de cultivo para a produção de amilases pelo termofílico Bacillus sp. e hidrólise de amidos pela ação da enzima Optimization of culture conditions for the production of amylases by thermophilic Bacillus sp. and hydrolysis of starches by the action of the enzymes

    Directory of Open Access Journals (Sweden)

    Raquel Vieira de Carvalho

    2008-06-01

    Full Text Available A otimização das condições de cultivo para a produção de α-amilase por um termofílico Bacillus sp. cepa SMIA-2 foi realizada. Além disso, a hidrólise enzimática do amido, proveniente de várias fontes tais como batata, mandioca e milho, foi também investigada. A produção de α-amilase por Bacillus sp. SMIA-2, cultivado em meio líquido contendo amido (5 g.L-1 como fonte de carbono e suplementado com 0,5 g.L-1 de proteínas do soro de leite e 2 g.L-1 de peptona, alcançou o máximo em 32 horas com níveis de 37 U.mL-1. O microrganismo foi capaz de utilizar diversas fontes de carbono, porém a atividade da amilase variou com cada fonte. O amido foi a melhor fonte de carbono para a secreção da amilase, enquanto a sacarose, lactose, maltose, galactose e glicose não foram muito efetivas. Uma redução na concentração de amido de até 2,5 g.L-1 no meio de cultura melhorou o crescimento do organismo e a atividade enzimática. Em altas concentrações de amido, a produção da enzima foi comparativamente menor. Em relação às fontes de nitrogênio orgânico e inorgânico, a peptona (2 g.L-1 foi considerada a melhor. Considerando a quantidade de proteínas do soro de leite no meio de cultivo, a concentração de 0,25 g.L-1 foi considerada a mais efetiva para a secreção da α-amilase pelo microrganismo. A produção máxima da atividade enzimática foi observada a 50 °C e pH 8,5. A enzima foi capaz de degradar todos os amidos testados. A hidrólise do amido de batata resultou num alto rendimento de açúcares redutores em comparação às outras fontes de amido. Amido solúvel e amido de mandioca ocuparam, respectivamente, a segunda e terceira posição em relação à liberação dos açúcares redutores, enquanto que a amilase estudada mostrou apenas uma ligeira afinidade pelo amido de milho. Com o aumento da temperatura da reação para 70 °C, a hidrólise dos substratos, com exceção do amido solúvel, resultou em maiores

  10. Highly efficient water-mediated approach to access benzazoles: metal catalyst and base-free synthesis of 2-substituted benzimidazoles, benzoxazoles, and benzothiazoles.

    Science.gov (United States)

    Bala, Manju; Verma, Praveen Kumar; Sharma, Deepika; Kumar, Neeraj; Singh, Bikram

    2015-05-01

    An efficient water-catalyzed method has been developed for the synthesis of 2-substituted benzimidazoles, benzoxazoles, and benzothiazoles in one step. The present method excludes the usage of toxic metal catalysts and bases to produce benzazoles in good to excellent yields. An efficient and versatile water-mediated method has been established for the synthesis of various 2-arylbenzazoles. The present protocol excludes the usage of any catalyst and additive provided excellent selectivities and yields with high functional group tolerance for the synthesis of 2-arylated benzimidazoles, benzoxazoles, and benzothiazoles. Benzazolones were also synthesized using similar reaction protocol.

  11. First quantitative measurements by IR spectroscopy of dioxins and furans by means of broadly tunable quantum cascade lasers

    International Nuclear Information System (INIS)

    Siciliani de Cumis, M; D’Amato, F; Viciani, S; Patrizi, B; Foggi, P; Galea, C L

    2013-01-01

    We demonstrate the possibility of a quantitative analysis of the concentration of several dioxins and furans, among the most toxic ones, by only using infrared absorption laser spectroscopy. Two broadly tunable quantum cascade lasers, emitting in the mid-infrared, have been used to measure the absorption spectra of dioxins and furans, dissolved in CCl 4 , in direct absorption mode. The minimum detectable concentrations are inferred by analyzing diluted samples. A comparison between this technique and standard Fourier transform spectroscopy has been carried out and an analysis of future perspectives is reported. (paper)

  12. Correlated electron state in CeCu2Si2 controlled through Si to P substitution

    Science.gov (United States)

    Lai, Y.; Saunders, S. M.; Graf, D.; Gallagher, A.; Chen, K.-W.; Kametani, F.; Besara, T.; Siegrist, T.; Shekhter, A.; Baumbach, R. E.

    2017-08-01

    CeCu2Si2 is an exemplary correlated electron metal that features two domes of unconventional superconductivity in its temperature-pressure phase diagram. The first dome surrounds an antiferromagnetic quantum critical point, whereas the more exotic second dome may span the termination point of a line of f -electron valence transitions. This behavior has received intense interest, but what has been missing are ways to access the high pressure behavior under milder conditions. Here we study Si → P chemical substitution, which compresses the unit cell volume but simultaneously weakens the hybridization between the f - and conduction electron states and encourages complex magnetism. At concentrations that show magnetism, applied pressure suppresses the magnetic ordering temperature and superconductivity is recovered for samples with low disorder. These results reveal that the electronic behavior in this system is controlled by a nontrivial combination of effects from unit cell volume and electronic shell filling. Guided by this topography, we discuss prospects for uncovering a valence fluctuation quantum phase transition in the broader family of Ce-based ThCr2Si2 -type materials through chemical substitution.

  13. Synthesis and biological evaluation of 2-substituted benzimidazole derivatives

    Directory of Open Access Journals (Sweden)

    Gurusamy Mariappan

    2015-09-01

    Full Text Available A novel series of 2-substituted benzimidazole derivatives (3a–3j were synthesized by the reaction of 2-chloro methyl benzimidazole with substituted primary aromatic amines. All the compounds were characterized by UV, IR, 1H NMR, mass spectral data and CHN elemental analysis. The synthesized derivatives were screened for analgesic and anti-inflammatory activities. All the compounds showed significant effect at 100 mg/kg p.o. and the experimental data are statistically significant at p < 0.01 level.

  14. Mechanical properties of a high amylose content corn starch based film, gelatinized at low temperature Propriedades mecânicas de filme a base de amido de milho de alto teor de amilose gelatinizado em baixa temperatura

    Directory of Open Access Journals (Sweden)

    Maria Alejandra Bertuzzi

    2012-09-01

    Full Text Available In the present study, a better knowledge of the influence of plasticizer content, storage relative humidity and film thickness on the mechanical properties of high amylose corn starch based films gelatinized at low temperature, is presented. The mechanical properties, tensile strength and percentage of elongation at break of high amylose corn starch films plasticized with glycerol were evaluated using tension tests. The films exhibited an increase in elongation and a decrease in tensile strength with increasing plasticizer concentration. When the glycerol level was high, some fissures were detected in the dry films, possible due to phase separation (starch-glycerol phenomena. Film crystallinity is related to the reorganization capacity of the polymer chain, and thus the relative film crystallinity should increase with plasticizer content (glycerol and water. The mechanical properties were found to be strongly dependent on the water content due to the hydrophilic nature of starch films. The influence of moisture sorption on tensile strength was similar to that of plasticization with glycerol. The relationship between polymer chain mobility and water content explained this behavior. Elongation suffered a different effect and maximum values were reached at 45% relative humidity. The final drop in elongation was due to a softening of the structure at high relative humidity. The thicker the film the longer the drying time required, leading to greater relative crystallinity due to the corresponding increase in the possibility for chain reorganization. As a consequence, linear increases in tensile strength and elongation were observed with film thickness over the whole range studied (30 to 100 µm.No presente estudo, é apresentado um melhor conhecimento da influência do teor em plastificante, da umidade relativa de armazenamento e da espessura do filme nas propriedades mecânicas do filme baseado em amido de milho de alto conteúdo de amilose

  15. Biotransformation of 5-hydroxy-methylfurfural into 2,5-furan-dicarboxylic acid by bacterial isolate using thermal acid algal hydrolysate.

    Science.gov (United States)

    Yang, Chu-Fang; Huang, Ci-Ruei

    2016-08-01

    Thermal acid hydrolysis is often used to deal with lignocellulosic biomasses, but 5-hydroxy-methylfurfural (5-HMF) formed during hydrolysis deeply influences downstream fermentation. 2,5-Furan-dicarboxylic acid (FDCA), which is in the list of future important biomass platform molecules can be obtained using 5-HMF biotransformation. Based on the connection between 5-HMF removal in acid hydrolysate and FDCA production, the optimum thermal acid hydrolysis condition for macroalgae Chaetomorpha linum was established. Potential microbes capable of transforming 5-HMF into FDCA were isolated and characterized under various parameters and inoculated into algal hydrolysate to perform 5-HMF biotransformation. The optimum hydrolysis condition was to apply 0.5M HCl to treat 3% algal biomass under 121°C for 15min. Isolated Burkholderia cepacia H-2 could transform 2000mg/L 5-HMF at the initial pH of 7 at 28°C and 1276mg/L FDCA was received. Strain B. cepacia H-2 was suitable for treating the algal hydrolysate without dilution, receiving 989.5mg/L FDCA. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. New cytotoxic furan from the marine sediment-derived fungi Aspergillus niger.

    Science.gov (United States)

    Uchoa, Paula Karina S; Pimenta, Antonia T A; Braz-Filho, Raimundo; de Oliveira, Maria da Conceição F; Saraiva, Natália N; Rodrigues, Barbara S F; Pfenning, Ludwig H; Abreu, Lucas M; Wilke, Diego V; Florêncio, Katharine G D; Lima, Mary Anne S

    2017-11-01

    A fungal strain of Aspergillus niger was recovered from sediments collected in the Northeast coast of Brazil (Pecém's offshore port terminal). Cultivation in different growth media yielded a new ester furan derivative, 1, along with malformin A1, malformin C, cyclo (trans-4-hydroxy-L-Pro-L-Leu), cyclo (trans-4-hydroxy-L-Pro-L-Phe), cyclo (L-Pro-L-Leu), cyclo (L-Pro-L-Phe), pseurotin D, pseurotin A, chlovalicin, cyclo (L-Pro-L-Tyr) and cyclo (L-Pro-L-Val). Compound 1 was cytotoxic against HCT-116 cell line, showing IC 50  = 2.9 μg/mL (CI 95% from 1.8 to 4.7 μg/mL).

  17. Estimation of the furan contamination across the Belgian food chain

    OpenAIRE

    Scholl , Georges; Scippo , Marie-Louise; Eppe , Gauthier; De Pauw , Edwin; Saegerman , Claude

    2011-01-01

    Abstract The current paper provides the estimate of the furan content in Belgian foods. The objective of the study was to achieve the best food chain coverage with a restrictive number of samples (n=496). The geographic distribution, the different market chains and labels, but also the consumption frequencies were taken into account for the sampling plan construction. Weighting factors on contamination levels, consumption frequency and diversity of food items were applied to set ...

  18. Dihydroxylation of 4-substituted 1,2-dioxines

    DEFF Research Database (Denmark)

    Robinson, Tony V; Pedersen, Daniel Sejer; Taylor, Dennis K

    2009-01-01

    The synthesis of 2-C-branched erythritol derivatives, including the plant sugar (+/-)-2-C-methylerythritol 2, was achieved through a dihydroxylation/reduction sequence on a series of 4-substituted 1,2-dioxines 3. The asymmetric dihydroxylation of 1,2-dioxines was examined, providing access...... to optically enriched dihydroxy 1,2-dioxanes 4. The synthesized 1,2-dioxanes were converted to other erythro sugar analogues and tetrahydrofurans through controlled cleavage of the endoperoxide linkage....

  19. Catalytic conversion of cellulose to fuels and chemicals using boronic acids

    Science.gov (United States)

    Raines, Ronald; Caes, Benjamin; Palte, Michael

    2015-10-20

    Methods and catalyst compositions for formation of furans from carbohydrates. A carbohydrate substrate is heating in the presence of a 2-substituted phenylboronic acid (or salt or hydrate thereof) and optionally a magnesium or calcium halide salt. The reaction is carried out in a polar aprotic solvent other than an ionic liquid, an ionic liquid or a mixture thereof. Additional of a selected amount of water to the reaction can enhance the yield of furans.

  20. Oxidação dos amidos de mandioca e de milho comum fermentados: desenvolvimento da propriedade de expansão Oxidation of fermented cassava and corn starches: development of the expansion property

    Directory of Open Access Journals (Sweden)

    Alvaro Renato Guerra Dias

    2007-12-01

    Full Text Available Amidos de mandioca e de milho comum foram fermentados em laboratório a 20 °C, sendo uma fração seca ao sol e outra oxidada com peróxido de hidrogênio e secada artificialmente, visando o desenvolvimento da propriedade de expansão. Estudou-se a fermentação em 0, 10, 30 e 50 dias, sendo a propriedade de expansão no forneamento avaliada pelo teste do biscoito e o comportamento viscoamilográfico pelo RVA. Verificou-se que a fermentação promove modificação que auxilia na oxidação dos amidos de mandioca e de milho elevando a acidez titulável do produto. O amido de mandioca fermentado oxidado com exposição solar ou com peróxido de hidrogênio pode desenvolver a propriedade de expansão, já o amido de milho comum nessas condições não tem essa capacidade. Os melhores resultados para a propriedade de expansão foram no amido de mandioca oxidado com peróxido de hidrogênio aos 50 dias de fermentação.Cassava and corn starches were fermented in the laboratory at 20 °C, and a fraction was in the sun while another fraction was oxidized with hydrogen peroxide and dried artificially to develop the expansion property. Fermentation in 0, 10, 30 and 50 days was checked and the expansion property was evaluated by the baking test and viscoamilograph behavior (RVA. Fermentation was found to cause changes that help the oxidation of cassava and corn starches, increasing the product's titrable acidity. The fermented cassava starch, oxidized by exposure to sunlight or hydrogen peroxide, may develop the expansion property, but the corn starch did not display that ability under these conditions. The best results for the expansion property were obtained with cassava starch oxidized with hydrogen peroxide after 50 days of fermentation.

  1. Vanadium-substituted heteropolyacids immobilized on amine- functionalized mesoporous MCM-41: A recyclable catalyst for selective oxidation of alcohols with H2O2

    International Nuclear Information System (INIS)

    Dong, Xinbo; Wang, Danjun; Li, Kebin; Zhen, Yanzhong; Hu, Huaiming; Xue, Ganglin

    2014-01-01

    Graphical abstract: Vanadium-substituted phosphotungstic acids are immobilized on amine- functionalized mesoporous MCM-41 and the hybrid catalyst is proved to be a highly efficient solid catalyst for the oxidation of aromatic alcohols to the corresponding carbonyl compounds with H 2 O 2 , featured by the high conversion and selectivity, easy recovery, and quite steady reuse. - Highlights: • Vanadium-substituted phosphotungstic acid immobilized on amine-functionalized mesoporous MCM-41 are prepared. • HPAs were fixed on the inner surface of mesoporous MCM-41 by chemical bonding to aminosilane groups. • The hybrid catalyst showed much higher catalytic activity than the pure HPAs. • The hybrid catalyst is a highly efficient recyclable solid catalyst for the selective oxidation of aromatic alcohols. - Abstract: New hybrid materials of vanadium-substituted phosphotungstic acids (VHPW) immobilized on amine-functionalized mesoporous MCM-41 (VHPW/MCM-41/NH 2 ) are prepared and characterized by FT-IR, XRD, N 2 adsorption, elemental analysis, SEM and TEM for their structural integrity and physicochemical properties. It is found that the structure of the heteropolyacids is retained upon immobilization over mesoporous materials. The catalytic activities of these hybrid materials are tested in the selective oxidation of alcohols to the carbonyl products with 30% aqueous H 2 O 2 as oxidant in toluene. The catalytic activities of different number of vanadium-substituted phosphotungstic acid are investigated, and among the catalysts, H 5 [PV 2 W 10 O 40 ] immobilized on amine-functionalized MCM-41 exhibits the highest activity with 97% conversion and 99% selectivity in the oxidation of benzyl alcohol to benzaldehyde. The hybrid catalyst is proved to be a highly efficient recyclable solid catalyst for the selective oxidation of aromatic alcohols to the corresponding aldehydes with H 2 O 2

  2. Influência do tratamento térmico e da acidez no comportamento reológico de amidos nativos funcionais de milho cerosos orgânicos comerciais Heat treatment and acidity influence on the rheological behavior of commercial organic waxy corn starch

    Directory of Open Access Journals (Sweden)

    Lizielle Maria Ricardo Guerreiro

    2009-06-01

    Full Text Available Os amidos são amplamente utilizados em alimentos como molhos para salada, molhos e pratos prontos. Entretanto, as propriedades funcionais de amidos nativos não resistem aos processos estressantes tais como tratamento térmico, acidez e alto cisalhamento. Os amidos podem ser modificados quimicamente neste sentido, mas não atribuem ao alimento o rótulo de "natural". Uma outra opção é obter amidos naturais resistentes às condições de estresse. O objetivo do presente trabalho foi a avaliação de dois amidos que se comercializam rotulados como nativos e orgânicos frente ao tratamento térmico e à acidez. Suspensões dos amidos nativos funcionais orgânicos (9460 e 9560, National Starch and Chemical Industrial preparadas numa concentração de 5% (peso/volume, foram acidificadas com ácido cítrico 1M ou autoclavadas a 121 °C por 30 minutos. O resultado dos tratamentos foi avaliado por microscopia óptica, pelas curvas de escoamento e pelos espectros mecânicos, obtidos por reologia estacionária e dinâmica. A acidez e o tratamento térmico aumentaram a estruturação dos géis dos amidos, que resistiram aos processos estressantes. Os géis apresentaram comportamento não newtoniano, (pseudoplástico e tixotrópico. O comportamento pode ser modelado pela equação Lei da Potência ou Herschel-Bukley. Todos os géis apresentaram comportamento viscoelástico de gel fraco que foi preservado nos diversos tratamentos.Starches are widely utilized in foodstuffs as salad dressing, sauce, and processed foods. However, the functional properties of native starches are affected by processes such as heat treatment, acidity, and high shear stress. Starches can be modified chemically in order to have characteristics required by industries, but not to attribute the food a "natural and safe" label. Another option is to obtain native starches resistant to food processing stress conditions. The objective of this paper is the evaluation of commercial

  3. Synthesis and molecular structures of 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles

    International Nuclear Information System (INIS)

    Wu, J.W.; Zhao, L.; Wang, Z.; Gu, H.; Chen, W.; Zhao, C.

    2016-01-01

    Five novel 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles were synthesized by a three-step route. Under microwave irradiation, the p-substituted phenols were firstly O-carboxymethylated to prepare the corresponding p-substituted phenoxymethyl acids, which then reacted with o-phenylendiamine to get the key intermediates 2-(p-substituted) phenoxymethyl benzimidazole. Finally, the solid-liquid phase transfer catalysis method, where tetrabutyl ammonium bromide (TBAB) was used as the catalyst, was applied to synthesize the target compounds c/sub 1/-c/sub 5/ by the N-hydroxyethylation reaction with 2-chloroethyl alcohol. The structures of the obtained compounds were well characterized and confirmed by elemental analysis, MS, IR, /sup 1/H NMR, /sup 13/C NMR and single-crystal X-ray diffraction analysis. (author)

  4. Estudo da adição de vital glúten à farinha de arroz, farinha de aveia e amido de trigo na qualidade de pães

    Directory of Open Access Journals (Sweden)

    TEDRUS Guilherme de A. S.

    2001-01-01

    Full Text Available Farinhas de arroz e de aveia e amido de trigo foram adicionados de vital glúten e avaliados pelo Teste de Panificação. Usou-se como padrão uma amostra de farinha de trigo com características adequadas para produção de pão. Os níveis de adição de vital glúten foram de 10, 15, 17,5, 20 e 30% para a farinha de arroz e de 10, 20 e 30% para a farinha de aveia. Ao amido de trigo, extraído da farinha de trigo utilizada como padrão, foi adicionado vital glúten de forma a reconstituir o teor de glúten original da farinha. Os melhores resultados do teste de panificação foram obtidos com 17,5% de vital glúten na farinha de arroz e 20% de vital glúten na farinha de aveia. Foram obtidos pães com volumes específicos inferiores aos de trigo (2,67cm³/g para vital glúten + farinha de arroz, 3,07cm³/g para vital glúten + farinha de aveia e 4,14cm³/g para vital glúten + amido de trigo contra 5,15cm³/g para os de farinha de trigo. As melhores misturas foram analisadas quanto às suas características reológicas e comparadas com a farinha de trigo original. A mistura de amido de trigo e vital glúten apresentou características farinográficas extensográficas inferiores à farinha de trigo e deu origem a pães de menor volume e com estrutura compacta. No geral, a adição de vital glúten propiciou a obtenção de pães com características aceitáveis, embora inferiores às do pão de farinha de trigo. As características dos pães contendo vital glúten foram: pouca simetria e quebra praticamente inexistente. São necessários novos estudos sobre a interação do vital glúten com os demais componentes da farinha de trigo e sua influência na qualidade do produto final.

  5. A tandem Mannich addition–palladium catalyzed ring-closing route toward 4-substituted-3(2H-furanones

    Directory of Open Access Journals (Sweden)

    Jubi John

    2014-06-01

    Full Text Available A facile route towards highly functionalized 3(2H-furanones via a sequential Mannich addition–palladium catalyzed ring closing has been elaborated. The reaction of 4-chloroacetoacetate esters with imines derived from aliphatic and aromatic aldehydes under palladium catalysis afforded 4-substituted furanones in good to excellent yields. 4-Hydrazino-3(2H-furanones could also be synthesized from diazo esters in excellent yields by utilising the developed strategy. We could also efficiently transform the substituted furanones to aza-prostaglandin analogues.

  6. Electron-Rich 4-Substituted Spirobifluorenes: Toward a New Family of High Triplet Energy Host Materials for High-Efficiency Green and Sky Blue Phosphorescent OLEDs.

    Science.gov (United States)

    Quinton, Cassandre; Thiery, Sébastien; Jeannin, Olivier; Tondelier, Denis; Geffroy, Bernard; Jacques, Emmanuel; Rault-Berthelot, Joëlle; Poriel, Cyril

    2017-02-22

    We report herein a detailed structure-properties relationship study of the first examples of electron-rich 4-substituted spirobifluorenes for organic electronic applications, namely, 4-phenyl-N-carbazole-spirobifluorene (4-PhCz-SBF) and 4-(3,4,5-trimethoxyphenyl)-spirobifluorene (4-Ph(OMe) 3 -SBF). The incorporation of the electron-rich moieties in the ortho position of the biphenyl linkage (position C4) induces unique properties, very different from those previously described in the literature for this family of semiconductors. Both dyes can be readily synthesized, possess high triplet energies and excellent thermal stability, and their HOMO energy levels are highly increased compared to those of other 4-substituted SBFs. We also provide in this work the first rationalization of the peculiar fluorescence of 4-substituted SBFs. Finally, the present dyes have been successfully incorporated as host in green and blue phosphorescent organic light-emitting diodes with high performance either for the green (EQE of 20.2%) or the blue color (EQE of 9.6%). These performances are, to the best of our knowledge, among the highest reported to date for 4-substituted SBF derivatives.

  7. Non-isovalent alkali metal ''substitution'' in YBa2Cu3O7-y granular ceramics

    International Nuclear Information System (INIS)

    Cloots, R.; Liege Univ.; Rulmont, A.; Pekala, M.; Liege Univ.; Laval, J.Y.; Bougrine, H.; Liege Univ.; Ausloos, M.

    1995-01-01

    The aim of this paper is to study the influence of non-isovalent ''doping'' in YBa 2 Cu 3 O 7-y in particular on its synthesis conditions and on the resistive properties both with and without a magnetic field. We concentrate on the study of possible alkali ions (Na, K, Cs) ''substitution'' at the barium sites. A low temperature sintering process is used in order to induce a reactive liquid phase. The final chemical composition is discussed as a function of the amount of the liquid phase. No alkali ion is substituted. Carbonate layers are present. However, this (lack of) ''substitution'' leads to induced vacancies and improved electrical transport properties which are as good as in highly pure materials. For conciseness the case of Na ''substitution'' only is illustrated. The use of such data in order to probe the microstructure is emphasized. (orig.)

  8. Synthesis of 2-azetidinones substituted quinoline derivative

    Directory of Open Access Journals (Sweden)

    Mashelkar Uday C.

    2013-01-01

    Full Text Available Acetanilide is converted into 2-chloro-3-formyl quinoline by reacting with DMF-POCl3 at 80-90ºC and then condensed with aromatic primary amines to give Schiff bases (3a-3c. These Schiff bases are then reacted with acid chlorides in the presence of base in toluene to give 1, 3, 4-substituted 2-azetidinones.

  9. Highly Soluble Monoamino-Substituted Perylene Tetracarboxylic Dianhydrides: Synthesis, Optical and Electrochemical Properties

    Directory of Open Access Journals (Sweden)

    Kew-Yu Chen

    2014-12-01

    Full Text Available Three dialkylamino-substituted perylene tetracarboxylic dianhydrides with different n-alkyl chain lengths (n = 6, 12 or 18, 1a–1c, were synthesized under mild conditions in high yields and were characterized by 1H NMR, 13C NMR and high resolution mass spectroscopy. Their optical and electrochemical properties were measured using UV-Vis and emission spectroscopic techniques, as well as cyclic voltammetry (CV. This is the first time that the structures and the properties of monoamino-substituted perylene tetracarboxylic dianhydrides have been reported. These molecules show a deep green color in both solution and the solid state and are soluble in most organic solvents. They all show a unique charge transfer emission in the near-infrared region, and the associated peaks exhibit solvatochromism. The dipole moments of the compounds have been estimated using the Lippert-Mataga equation, and upon excitation, they show slightly larger dipole moment changes than those of corresponding perylene diimides, 2a–2c. Additionally, Compounds 1a–1c undergo two quasi-reversible one-electron oxidations and two quasi-reversible one-electron reductions in dichloromethane at modest potentials. Complementary density functional theory calculations performed on these chromophores are reported in order to gain more insight into their molecular structures and optical properties.

  10. Used Furan Sand Reclamation in REGMAS Vibratory Unit

    Directory of Open Access Journals (Sweden)

    Dańko J.

    2015-09-01

    Full Text Available The paper, especially dealt with problems of reclamation of used furan sand, carried out in new, vibratory sand reclamation unit REGMAS developed by researches from AGH-University of Science and Technology, Faculty of Foundry Engineering in Cracow (Poland. Functional characteristics of reclamation unit as well as the results of reclamation of used sand with furfuryl resin are discussed in the paper. The quality of reclaim was tested by means of the LOI and pH value, dust content in the reclaim and at least by the the quality of the castings produced in moulds prepared with the use of reclaimed matrix.

  11. Removal of furan and phenolic compounds from simulated biomass hydrolysates by batch adsorption and continuous fixed-bed column adsorption methods.

    Science.gov (United States)

    Lee, Sang Cheol; Park, Sunkyu

    2016-09-01

    It has been proposed to remove all potential inhibitors and sulfuric acid in biomass hydrolysates generated from dilute-acid pretreatment of biomass, based on three steps of sugar purification process. This study focused on its first step in which furan and phenolic compounds were selectively removed from the simulated hydrolysates using activated charcoal. Batch adsorption experiments demonstrated that the affinity of activated charcoal for each component was highest in the order of vanillic acid, 4-hydroxybenzoic acid, furfural, acetic acid, sulfuric acid, and xylose. The affinity of activated charcoal for furan and phenolic compounds proved to be significantly higher than that of the other three components. Four separation strategies were conducted with a combination of batch adsorption and continuous fixed-bed column adsorption methods. It was observed that xylose loss was negligible with near complete removal of furan and phenolic compounds, when at least one fixed-bed column adsorption was implemented in the strategy. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Tetrel, Chalcogen, and Charge-Assisted Hydrogen Bonds in 2-((2-Carboxy-1-(substituted-2-hydroxyethylthio Pyridin-1-ium Chlorides

    Directory of Open Access Journals (Sweden)

    Firudin I. Guseinov

    2017-10-01

    Full Text Available Reaction of 2-chloro-2-(diethoxymethyl-3-substitutedoxirane or 1-chloro-1-(substituted -3,3-diethoxypropan-2-one with pyridine-2-thiol in EtOH at 25 °C yields 3-(diethoxymethyl-3-hydroxy-2-substituted-2,3-dihydrothiazolo[3,2-a]pyridin-4-ium chlorides, which subsequently, in MeCN at 85°C, transforms into ring-opening products, 2-((2-carboxy-1-(substituted -2-hydroxyethylthiopyridin-1-ium chlorides. The tetrel (C···O and chalcogen (S···O bonds are found in the structures of 5 and 6, respectively. Compound 6 is also present in halogen bonding with a short O···Cl distance (3.067 Å. Both molecules are stabilized in crystal by tetrel, chalcogen, and multiple charge-assisted hydrogen bonds.

  13. Desempenho produtivo e atividade microbiana cecal de coelhos alimentados com dietas contendo diferentes níveis de amido Performance and cecal microbial activity of growing rabbits fed diets with different starch levels

    Directory of Open Access Journals (Sweden)

    Alex Martins Varela de Arruda

    2000-06-01

    Full Text Available Com o objetivo de avaliar a influência do amido dietético sobre o rendimento produtivo e a atividade microbiana cecal de coelhos em crescimento, quatro dietas experimentais foram elaboradas de forma a conter níveis crescentes de amido (23, 28, 33 e 38% de amido total na base da MS, os quais foram fornecidos a 32 coelhos da raça Nova Zelândia Branco, distribuídos em gaiolas de engorda individuais, seguindo um delineamento em blocos casualizados. Houve efeito linear decrescente para consumo e conversão alimentar, em que valores de 108,67 g/d e 3,216, respectivamente, foram obtidos para os animais alimentados com 38% de amido dietético. No entanto, o ganho de peso e o rendimento de carcaça não foram influenciados pelos tratamentos. Por outro lado, os valores de pH, as concentrações totais e as proporções molares dos ácidos graxos voláteis não foram influenciados pelos tratamentos, porém, para o ácido propiônico, houve efeito linear decrescente, sendo a maior proporção molar (12,06% verificada no conteúdo cecal de coelhos alimentados com 23% de amido dietético. O milho-grão apresentou maior influência sobre a atividade microbiana cecal que o amido de milho purificado, porém, sem alterar o desempenho e rendimento de carcaça.With the objective to evaluate the effect of dietary starch on the productive yield and cecal microbial activity for rabbits in the growing, four experimental diets were formulated to contain increasing corn starch levels (23, 28, 33 and 38 % total starch levels in dry matter basis. A total of 32 White New Zealand rabbits were allotted to finishing cages in a completely randomized block design. The results showed a decreasing linear effect for the feed intake and feed:gain ratio, where values of 108.67g/d and 3.216, respectively, were recorded for animals fed 38% dietary starch. However, no difference was observed for the weight gain and carcass yield. Regarding to cecal microbial activity, pH and

  14. Structural, morphological and dielectric studies of zirconium substituted CoFe2O4 nanoparticles

    Directory of Open Access Journals (Sweden)

    S. Anand

    2017-12-01

    Full Text Available In this work, the influence of zirconium substitution in cubic spinel nanocrystalline CoFe2O4 on the structural, morphological and dielectric properties are reported. Zirconium substituted cobalt ferrite Co1-xZrxFe2O4 (x = 0.7 nanoparticles were synthesized by sol-gel route. The structural and morphological investigations using powder X-ray diffraction and high resolution scanning electron microscope (HRSEM analysis are reported. Scherrer plot, Williamson–Hall analysis and Size-strain plot method were used to calculate the crystallite size and lattice strain of the samples. High purity chemical composition of the sample was confirmed by energy dispersive X-ray analysis. The atoms vibration modes of as synthesized nanoparticles were recorded using Fourier transform infrared (FTIR spectrometer in the range of 4000–400 cm-1. The temperature-dependent dielectric properties of zirconium substituted cobalt ferrite nanoparticles were also carried out. Relative dielectric permittivity, loss tangent and AC conductivity were measured in the frequency range 50 Hz to 5 MHz at temperatures between 323 K and 473 K. The dielectric constant and dielectric loss values of the sample decreased with increasing in the frequency of the applied signal.

  15. Transport properties and Raman spectra of impurity substituted MgB2

    International Nuclear Information System (INIS)

    Masui, T.

    2007-01-01

    Recent advances in the study of MgB 2 are reviewed, with focus on the transport properties and Raman scattering measurements for impurity substituted crystals. Carbon and Aluminium substitution change band filling, introduce intraband and interband scattering. These effects are seen in the temperature dependence of resistivity, Hall coefficients, and phonon peak of Raman spectra. Manganese substitution introduces magnetic scattering, that increases resistivity but gives little change in Raman spectra. The effect of disorder in neutron irradiated samples is also discussed

  16. Synthesis, Characterization and Antifungal Evaluation of 5-Substituted-4-Amino-1,2,4-Triazole-3-Thioesters

    Directory of Open Access Journals (Sweden)

    Aurangzeb Hasan

    2011-01-01

    Full Text Available A series of 5-substituted-4-amino-1,2,4-triazole-3-thioesters was synthesized by converting variously substituted organic acids successively into the corresponding esters, hydrazides, 5-substituted-1,3,4-oxadiazole-2-thiols, 5-substituted-1,2,4-triazole-2-thiols and 5-substituted-1,3,4-oxadiazole-2-thioesters. Finally the target compounds were obtained by refluxing 5-substituted-1,3,4-oxadiazole-2-thioesters in the presence of hydrazine hydrate and absolute alcohol. The structures of the synthesized compounds were established by physicochemical and spectroscopic methods. The synthesized compounds were evaluated for their in vitro antifungal activity. Some of the evaluated compounds possessed significant antifungal activity as compared to a terbinafine standard.

  17. High temperature dissolution of chromium substituted nickel ferrite in nitrilotriacetic acid medium

    Energy Technology Data Exchange (ETDEWEB)

    Sathyaseelan, V.S.; Chandramohan, P.; Velmurugan, S., E-mail: svelu@igcar.gov.in

    2016-12-01

    High temperature (HT) dissolution of chromium substituted nickel ferrite was carried out with relevance to the decontamination of nuclear reactors by way of chemical dissolution of contaminated corrosion product oxides present on stainless steel coolant circuit surfaces. Chromium substituted nickel ferrites of composition, NiFe{sub (2−x)}Cr{sub x}O{sub 4} (x ≤ 1), was synthetically prepared and characterized. HT dissolution of these oxides was carried out in nitrilotriacetic acid medium at 160 °C. Dissolution was remarkably increased at 160 °C when compared to at 85 °C in a reducing decontamination formulation. Complete dissolution could be achieved for the oxides with chromium content 0 and 0.2. Increasing the chromium content brought about a marked reduction in the dissolution rate. About 40 fold decrease in rate of dissolution was observed when chromium was increased from 0 to 1. The rate of dissolution was not very significantly reduced in the presence of N{sub 2}H{sub 4}. Dissolution of oxide was found to be stoichiometric. - Highlights: • Dissolution of NiFe{sub (2−x)}Cr{sub x}O{sub 4} was remarkably increased at 160 °C in NTA medium. • The dissolution was significantly decreasing with the increase in Cr content in the oxide. • Dissolution rate is dependent on the lability of metal-oxo bonds. • The rate of dissolution was not significantly reduced in the presence of N{sub 2}H{sub 4.} • NTA at high temperature is effective for decontamination of stainless steel surfaces.

  18. Atomic substitution in selected high-temperature superconductors: Elucidating the nature of Raman spectra excitations

    Science.gov (United States)

    Hewitt, Kevin Cecil

    2000-10-01

    In this thesis, the effects of atomic substitution on the vibrational and electronic excitations found in the Raman spectra of selected high-temperature superconductors (HTS) are studied. In particular, atomic and isotopic substitution methods have been used to determine the character of features observed in the Raman spectra of Bi2Sr2Ca n-1CunO2 n+4+delta (n = 1 - Bi2201, n = 2 - Bi2212) and YBa2Cu3O7-delta (Y123). In Bi2201, Pb substitution for Bi (and Sr) has led to the reduction and eventual removal of the structural modulation, characteristic of all members of the Bi-family of HTS. The high quality single crystals and our sensitive triple spectrometer enabled identification of a pair of low frequency modes. The modes are determined to arise from shear and compressional rigid-layer vibrations. The normal state of underdoped cuprates is characterized by a pseudogap of unknown origin. In crystals of underdoped Bi2212 a spectral peak found at 590 cm-1, previously attributed to the pairing of quasiparticles (above Tc) and hence to the formation of a normal state pseudogap, has been found to soften by 3.8% with oxygen isotope exchange. In addition, the feature is absent in fully oxygenated and yttrium underdoped crystals. In this study, the first of its kind on underdoped and isotope substituted Bi2212, the feature has been assigned to stretching vibrations of oxygen in the a-b plane. Bi2212 crystals with varying hole concentrations (0.07 Raman scattering experiments that sample the diagonal (B 2g) and principal axes (B1 g) of the BZ have led us to conclude that the superconducting gap possesses dx2-y2 symmetry, in the underdoped and overdoped regimes. It is found that the magnitude of the superconducting gap (Delta(k)) is sensitive to changes in p. Studies of the pair-breaking peak found in the B1g spectra allow us to conclude that the magnitude of the maximum gap (Deltamax) decreases monotonically with increasing hole doping, for p > 0.13. The pair

  19. Investigation into levels of dioxins, furans and PCBs in battery, free range, barn and organic eggs

    Energy Technology Data Exchange (ETDEWEB)

    Tlustos, C.; Pratt, I. [Food Safety Authority of Ireland, Dublin (Ireland); Moylan, R.; Neilan, R. [Dept. of Agriculture and Food, Maynooth (Ireland); White, S.; Fernandes, A.; Rose, M. [Central Science Lab., York (United Kingdom)

    2004-09-15

    The Food Safety Authority of Ireland (FSAI) has a statutory responsibility to assure the safety of food consumed, distributed, produced and sold on the Irish market. The results of a targeted surveillance study on levels of dioxins, furans and polychlorinated biphenyls (PCBs) in battery, free-range, barn and organic eggs are presented here. The study was undertaken against the background of increased awareness in the European Union of the possible health risks posed by dioxins, furans and polychlorinated biphenyls (PCBs) in the food chain, and builds on previous studies undertaken by FSAI into levels of these contaminants in milk, fish and fish oils. The opportunity was taken at the same time to investigate the levels of a number of metals in these eggs, and results of the full study are available on the FSAI website.

  20. Desenvolvimento de novas tecnologias para produção de xarope de glicose a partir do amido

    OpenAIRE

    Freitas, Aline Costa de [UNESP

    2012-01-01

    As amilases são enzimas que catalisam a hidrólise do amido, dentre as quais se destaca a α-amilase, a β-amilase e a glicoamilase. Apresentam grande importância biotecnológica devido sua aplicação em vários processos industriais, principalmente alimentício. Podem ser obtidas de plantas, animais e microorganismos, no entanto, enzimas microbianas encontram maior demanda industrial. Além da importância econômica destas enzimas, novas metodologias têm sido desenvolvidas com resíduos como substrato...

  1. Vanadium-substituted heteropolyacids immobilized on amine- functionalized mesoporous MCM-41: A recyclable catalyst for selective oxidation of alcohols with H{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Xinbo [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); Wang, Danjun [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); College of Chemistry Chemical Engineering, Yanan University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an 716000 (China); Li, Kebin [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); Zhen, Yanzhong [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); College of Chemistry Chemical Engineering, Yanan University, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an 716000 (China); Hu, Huaiming [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China); Xue, Ganglin, E-mail: xglin707@163.com [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Department of Chemistry (Ministry of Education), Northwest University, Xi' an 710069 (China)

    2014-09-15

    Graphical abstract: Vanadium-substituted phosphotungstic acids are immobilized on amine- functionalized mesoporous MCM-41 and the hybrid catalyst is proved to be a highly efficient solid catalyst for the oxidation of aromatic alcohols to the corresponding carbonyl compounds with H{sub 2}O{sub 2}, featured by the high conversion and selectivity, easy recovery, and quite steady reuse. - Highlights: • Vanadium-substituted phosphotungstic acid immobilized on amine-functionalized mesoporous MCM-41 are prepared. • HPAs were fixed on the inner surface of mesoporous MCM-41 by chemical bonding to aminosilane groups. • The hybrid catalyst showed much higher catalytic activity than the pure HPAs. • The hybrid catalyst is a highly efficient recyclable solid catalyst for the selective oxidation of aromatic alcohols. - Abstract: New hybrid materials of vanadium-substituted phosphotungstic acids (VHPW) immobilized on amine-functionalized mesoporous MCM-41 (VHPW/MCM-41/NH{sub 2}) are prepared and characterized by FT-IR, XRD, N{sub 2} adsorption, elemental analysis, SEM and TEM for their structural integrity and physicochemical properties. It is found that the structure of the heteropolyacids is retained upon immobilization over mesoporous materials. The catalytic activities of these hybrid materials are tested in the selective oxidation of alcohols to the carbonyl products with 30% aqueous H{sub 2}O{sub 2} as oxidant in toluene. The catalytic activities of different number of vanadium-substituted phosphotungstic acid are investigated, and among the catalysts, H{sub 5}[PV{sub 2}W{sub 10}O{sub 40}] immobilized on amine-functionalized MCM-41 exhibits the highest activity with 97% conversion and 99% selectivity in the oxidation of benzyl alcohol to benzaldehyde. The hybrid catalyst is proved to be a highly efficient recyclable solid catalyst for the selective oxidation of aromatic alcohols to the corresponding aldehydes with H{sub 2}O{sub 2}.

  2. Magnetic and electronic properties of the Cu-substituted Weyl semimetal candidate ZrCo2Sn.

    Science.gov (United States)

    Kushwaha, S K; Wang, Zhijun; Kong, Tai; Cava, Robert

    2018-01-04

    We report that the partial substitution of Cu for Co has a significant impact on the magnetic properties of the Heusler-phase Weyl fermion candidate ZrCo2Sn. Polycrystalline samples of ZrCo2-xCuxSn (x = 0.0 to 1.0) exhibited a linearly decreasing ferromagnetic transition temperature and similarly decreasing saturated magnetic moment on increasing Cu substitution x. Materials with Cu contents near x = 1 and several other quaternary materials synthesized at the same x (ZrCoT'Sn (T' = Rh, Pd, Ni)) display what appears to be non-ferromagnetic magnetization behavior with spin glass characteristics. Electronic structure calculations suggest that the half-metallic nature of unsubstituted ZrCo2Sn is disrupted significantly by the Cu substitutions, leading to the breakdown of the magnetization vs. electron count guidelines usually followed by Heusler phases, and a more typical metallic non-spin-polarized electronic structure at high x. © 2018 IOP Publishing Ltd.

  3. [Au]/[Pd] Multicatalytic Processes: Direct One-Pot Access to Benzo[ c ]chromenes and Benzo[ b ]furans

    KAUST Repository

    Oonishi, Yoshihiro; Gó mez-Suá rez, Adriá n; Martin, Anthony R.; Makida, Yusuke; Slawin, Alexandra M. Z.; Nolan, Steven P.

    2014-01-01

    A new synthetic protocol that combines the advantages offered by eco-friendly solvent-free reactions and sequential transformations is reported. This strategy offers straightforward access to benzo[c]chromenes and benzo[b]furans from commercially

  4. Synthesis and Antimycobacterial and Photosynthesis-Inhibiting Evaluation of 2-[(E-2-Substituted-ethenyl]-1,3-benzoxazoles

    Directory of Open Access Journals (Sweden)

    Ales Imramovsky

    2014-01-01

    Full Text Available A series of twelve 2-[(E-2-substituted-ethenyl]-1,3-benzoxazoles was designed. All the synthesized compounds were tested against three mycobacterial strains. The compounds were also evaluated for their ability to inhibit photosynthetic electron transport (PET in spinach (Spinacia oleracea L. chloroplasts. 2-[(E-2-(4-Methoxyphenylethenyl]-1,3-benzoxazole, 2-[(E-2-(2,3-dihydro-1-benzofuran-5-ylethenyl]-1,3-benzoxazole and 2-{(E-2-[4-(methylsulfanylphenyl]ethenyl}-1,3-benzoxazole showed the highest activity against M. tuberculosis, M. kansasii, and M. avium, and they demonstrated significantly higher activity against M. avium and M. kansasii than isoniazid. The PET-inhibiting activity of the most active ortho-substituted compound 2-[(E-2-(2-methoxyphenylethenyl]-1,3-benzoxazole was IC50 = 76.3 μmol/L, while the PET-inhibiting activity of para-substituted compounds was significantly lower. The site of inhibitory action of tested compounds is situated on the donor side of photosystem II. The structure-activity relationships are discussed.

  5. Synthesis, characterization and corrosion inhibition efficiency of N-(4-(Morpholinomethyl Carbamoyl Phenyl Furan-2-Carboxamide

    Directory of Open Access Journals (Sweden)

    N. Zulfareen

    2016-01-01

    Full Text Available A mannich base namely N-(4-(Morpholinomethyl Carbamoyl Phenyl Furan-2-Carboxamide (MFC was synthesized and characterized by FT-IR, 1H NMR, and 13C NMR. The molecular weight of MFC was confirmed by LC-MS. The inhibition effect of MFC on brass in 1 M HCl medium has been investigated by weight loss measurement, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS and cyclic voltametry (CV. Thermodynamic parameters such as free energy, entropy and enthalpy were calculated to describe the mechanism of corrosion inhibitor. The inhibition efficiency of MFC increases with increase in concentration and temperature ranges from 30 °C to 60 °C. Polarization measurements indicated that MFC acts as a mixed type corrosion inhibitor. AC impedance indicates that Rct value increases with increase in the concentration of inhibitor. CV reveals that the oxidation of the copper is controlled by the addition of inhibitor on the brass metal. Surface analysis using scanning electron microscope (SEM shows a significant morphological improvement on the brass surface with the addition of the inhibitor. The adsorption of MFC on brass obeys Langmuir adsorption isotherm. The molecular structure of MFC was distorted to quantum chemical indices using density functional theory (DFT which indicates that the inhibition efficiency of MFC is closely related to quantum parameters.

  6. Influência da concentração de soro de leite e de amido modificado sobre algumas características de composição de bebidas lácteas não fermentadas

    Directory of Open Access Journals (Sweden)

    Shana P. Ferreira

    2009-12-01

    Full Text Available Este trabalho teve como objetivo estudar a influência da concentração de soro de leite (26, 30, 40, 50 e 54% e de amido modificado (0,1; 0,2; 0,4; 0,6 e 0,7% sobre os teores de lactose, sólidos totais e acidez titulável de bebidas lácteas não fermentadas. Foram elaboradas 11 formulações empregando-se o planejamento estatístico Delineamento Composto Central Rotacional (DCCR para avaliar a influência dos fatores estudados, sobre as variáveis avaliadas. Para análise estatística dos resultados realizou-se análise de regressão. Constatou-se que as concentrações de soro avaliadas apresentaram efeito significativo sobre os teores de lactose, sólidos totais e acidez titulável, e o amido modificado não apresentou efeito significativo.

  7. Starch films: production, properties and potential of utilization / Filmes de amido: produção, propriedades e potencial de utilização

    Directory of Open Access Journals (Sweden)

    Fábio Yamashita

    2010-04-01

    Full Text Available There is an increasing interest in the utilization of renewable resources for the production of food packaging. Among the biopolymers, starches from several sources have been considered as one of the most promising material for this purpose, and the reasons for this are that starches are biodegradable, are inexpensive and available in the worldwide. This work presents a bibliography review about biodegradable starch films characterization and potential of utilization. Discusses the starch films mechanical and barrier properties, the cristallinity and the effects of the use of plasticizers over these properties. The discussed informations indicate that exist great possibilities for these materials in food packaging, which depend on the production of more stable materials and the development of production technology in industrial scale.O interesse no emprego de matérias-primas provenientes de recursos renováveis para a produção de embalagens de alimentos vem crescendo. Dentre os biopolímeros mais promissores para este fim estão os amidos de diversas fontes botânicas, que são biodegradáveis, têm custo baixo e estão disponíveis em todo o mundo. Diante disto, este trabalho apresenta uma revisão bibliográfica sobre a caracterização e o potencial de utilização de filmes biodegradáveis a base de amido. Discute as propriedades mecânicas, de barreira e a cristalinidade dos filmes de amido e o efeito do uso de plastificantes sobre estas propriedades. As informações disponibilizadas mostram que existem grandes possibilidades de utilização destes materiais como embalagens de alimentos que, no entanto, dependem da produção de materiais mais estáveis às condições de armazenamento e do desenvolvimento de tecnologia de produção em escala industrial.

  8. B2O3/SiO2 substitution effect on structure and properties of Na2O-CaO-SrO-P2O5-SiO2 bioactive glasses from molecular dynamics simulations.

    Science.gov (United States)

    Ren, Mengguo; Lu, Xiaonan; Deng, Lu; Kuo, Po-Hsuen; Du, Jincheng

    2018-05-23

    The effect of B2O3/SiO2 substitution in SrO-containing 55S4.3 bioactive glasses on glass structure and properties, such as ionic diffusion and glass transition temperature, was investigated by combining experiments and molecular dynamics simulations with newly developed potentials. Both short-range (such as bond length and bond angle) and medium-range (such as polyhedral connection and ring size distribution) structures were determined as a function of glass composition. The simulation results were used to explain the experimental results for glass properties such as glass transition temperature and bioactivity. The fraction of bridging oxygen increased linearly with increasing B2O3 content, resulting in an increase in overall glass network connectivity. Ion diffusion behavior was found to be sensitive to changes in glass composition and the trend of the change with the level of substitution is also temperature dependent. The differential scanning calorimetry (DSC) results show a decrease in glass transition temperature (Tg) with increasing B2O3 content. This is explained by the increase in ion diffusion coefficient and decrease in ion diffusion energy barrier in glass melts, as suggested by high-temperature range (above Tg) ion diffusion calculations as B2O3/SiO2 substitution increases. In the low-temperature range (below Tg), the Ea for modifier ions increased with B2O3/SiO2 substitution, which can be explained by the increase in glass network connectivity. Vibrational density of states (VDOS) were calculated and show spectral feature changes as a result of the substitution. The change in bioactivity with B2O3/SiO2 substitution is discussed with the change in pH value and release of boric acid into the solution.

  9. Effects of saliva substitutes on oral status in patients with Type 2 diabetes.

    Science.gov (United States)

    Montaldo, L; Montaldo, P; Papa, A; Caramico, N; Toro, G

    2010-11-01

    To assess oral status in a sample of Type 2 diabetic patients before and after therapy with saliva substitutes and oral status in a control group of diabetic patients who were not given saliva substitutes. Salivary flow rate was determined in 134 patients (mean age 47.9 ± 2.9 years) with Type 2 diabetes. Mean salivary rate was significantly low compared with a healthy control group. The sample of 134 patients was randomly divided into two groups of 67 people each. One group was given immunologically active salivary substitutes for 6 months, the other group was given nothing. Each patient of the two groups underwent a dental and periodontal examination at the beginning of the study and 6 months later. As regards carious teeth and teeth loss, there was no statistical difference between the first group after 6 months of treatment with salivary substitutes and the control group (P>0.01). Salivary substitutes did not significantly reduce the periodontal disease (P>0.01). In the group treated with salivary substitutes, after 6 months of therapy, the average dental plaque index decreased from 2.3 ± 0.73 to 1.6 ± 0.56, patients with gingivitis decreased from 66 to 43% and patients with positive yeast counts decreased from 60 to 37%. These differences were statistically significant (Pdiabetes, in the case of hyposalivation, a therapy with immunologically active saliva substitutes can be of help in reducing the amount of plaque, gingivitis and positive yeast counts. © 2010 The Authors. Diabetic Medicine © 2010 Diabetes UK.

  10. Comparison of MCNP and WIMS-AECL/RFSP calculations with high temperature substitution experiments in ZED-2 using CANFLEX-L VRF

    International Nuclear Information System (INIS)

    Pencer, J.; Bromley, B.P.; Watts, D.G.; Carlson, P.; Rauket, A.; Zeller, M.

    2009-01-01

    This paper summarizes comparisons of calculation results from MCNP5 and WIMS-AECL / RFSP with experimental results obtained from the Zero Energy Deuterium (ZED-2) critical facility, examining CANFLEX Low Void Reactivity Fuel (CANFLEX-LVRF) in heated channels, substituted into a reference lattice and cooled under ACR-like coolant conditions, with H 2 O, air, or CO 2 as an air substitute. CANFLEX-LVRF shares features in common with the ACR-1000 fuel, notably an increase in enrichment (over natural uranium) in the outer elements of the fuel bundle, and presence of a neutron absorber in the central element. The reference and substituted fuel channels were arranged in a 24.5-cm hexagonal lattice in order to provide neutron similarity to the 24-cm square lattice pitch of the ACR-1000. These results therefore provide useful data for validation of the reactor physics toolset for use in ACR-1000 applications. For the mixed lattices, results for both MCNP5 and WIMS-AECL / RFSP show small biases in k eff , ranging from -7 mk to -5 mk, small biases in coolant void reactivity, ranging from -1 mk to +0.5 mk, and good agreement for copper activation rate distributions (based on calculated neutron flux). Bare core MCNP and WIMS-AECL stand-alone results, based on substitution analysis, also show small biases in k eff , ranging from -6 mk to -0.4 mk, and small biases in coolant void reactivity, ranging from -0.3 mk to +3.7 mk. This validation exercise thus gives good agreement between measurement and calculation and provides confidence in the accuracy of the physics toolset. (author)

  11. Molecular cloning and expression of the hyu genes from Microbacterium liquefaciens AJ 3912, responsible for the conversion of 5-substituted hydantoins to alpha-amino acids, in Escherichia coli.

    Science.gov (United States)

    Suzuki, Shun'ichi; Takenaka, Yasuhiro; Onishi, Norimasa; Yokozeki, Kenzo

    2005-08-01

    A DNA fragment from Microbacterium liquefaciens AJ 3912, containing the genes responsible for the conversion of 5-substituted-hydantoins to alpha-amino acids, was cloned in Escherichia coli and sequenced. Seven open reading frames (hyuP, hyuA, hyuH, hyuC, ORF1, ORF2, and ORF3) were identified on the 7.5 kb fragment. The deduced amino acid sequence encoded by the hyuA gene included the N-terminal amino acid sequence of the hydantoin racemase from M. liquefaciens AJ 3912. The hyuA, hyuH, and hyuC genes were heterologously expressed in E. coli; their presence corresponded with the detection of hydantoin racemase, hydantoinase, and N-carbamoyl alpha-amino acid amido hydrolase enzymatic activities respectively. The deduced amino acid sequences of hyuP were similar to those of the allantoin (5-ureido-hydantoin) permease from Saccharomyces cerevisiae, suggesting that hyuP protein might function as a hydantoin transporter.

  12. An interpenetrating HA/G/CS biomimic hydrogel via Diels-Alder click chemistry for cartilage tissue engineering.

    Science.gov (United States)

    Yu, Feng; Cao, Xiaodong; Zeng, Lei; Zhang, Qing; Chen, Xiaofeng

    2013-08-14

    In order to mimic the natural cartilage extracellular matrix, a novel biological degradable interpenetrating network hydrogel was synthesized from the gelatin (G), hyaluronic acid (HA) and chondroitin sulfate (CS) by Diels-Alder "click" chemistry. HA was modified with furylamine and G was modified with furancarboxylic acid respectively. (1)H NMR spectra and elemental analysis showed that the substitution degrees of HA-furan and G-furan were 71.5% and 44.5%. Then the hydrogels were finally synthesized by cross-linking furan-modified HA and G derivatives with dimaleimide poly(ethylene glycol) (MAL-PEG-MAL). The mechanical and degradation properties of the hydrogels could be tuned simply through varying the molar ratio between furan and maleimide. Rheological, mechanical and degradation studies demonstrated that the Diels-Alder "click" chemistry is an efficient method for preparing high performance biological interpenetrating hydrogels. This biomimic hydrogel with improved mechanical properties could have great potential applications in cartilage tissue engineering. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Dinuclear 1,4,7-triazacyclononane (tacn) complexes of cobalt(III) with amido and tacn bridges. Synthesis, characterization and reversible acid-accelerated bridge cleavage

    DEFF Research Database (Denmark)

    Andersen, Peter; Glerup, Jørgen; Gumm, Andreas

    2004-01-01

    -tacn(-H)]Co(NH3)]3+, were isolated as perchlorates, and the crystal structure of the perrhenate of the latter complex was determined by X-ray diffraction. In this compound a nitrogen atom (deprotonated) from one of the tacn ligands forms a third bridge together with two amido bridges. In 1.0 M (Na,H)ClO4 ([H+] 0......)]4+. An isolated perchlorate of this complex appeared to be the salt of the trans-ammineaqua isomer as determined by X-ray diffraction. Equilibration from both sides fits the first-order rate constant dependence k(obs)=6.2(3) x 10(-5)[H+] + 2.1(2) x 10(-5)(s(-1)) at 40 degrees C. Prolonged treatment of the two...

  14. Alkylation of N-substituted 2-phenylacetamides

    Directory of Open Access Journals (Sweden)

    SLOBODAN D. PETROVIC

    2004-10-01

    Full Text Available Various N-substituted phenylacetamides were alkylated using different alkylating agents under neutral and basic conditions. Reactions were performed at different reaction temperatures and in various solvents. Also, a number of various catalysts were used including phase-transfer catalysts. Reactions were followed using GC or GC-MS technique and the presence as well as the yields of the alkylation products were established. Generally, the best yield and high selectivity in the studied reactions were achieved under basic conditions where in the certain cases some products, mostly N-product, were obtained solely in quantitative yields.

  15. Glycol-Substitute for High Power RF Water Loads

    CERN Document Server

    Ebert, Michael

    2005-01-01

    In water loads for high power rf applications, power is dissipated directly into the coolant. Loads for frequencies below approx. 1GHz are ordinarily using an ethylene glycol-water mixture as coolant. The rf systems at DESY utilize about 100 glycol water loads with powers ranging up to 600kW. Due to the increased ecological awareness, the use of glycol is now considered to be problematic. In EU it is forbidden to discharge glycol into the waste water system. In case of cooling system leakages one has to make sure that no glycol is lost. Since it is nearly impossible to avoid any glycol loss in large rf systems, a glycol-substitute was searched for and found. The found sodium-molybdate based substitute is actually a additive for corrosion protection in water systems. Sodium-molybdate is ecologically harmless; for instance, it is also used as fertilizer in agriculture. A homoeopathic dose of 0.4% mixed into deionised water gives better rf absorption characteristics than a 30% glycol mixture. The rf coolant feat...

  16. AMIDO RESISTENTE EM FARINHAS DE BANANA VERDE

    Directory of Open Access Journals (Sweden)

    Dayana Portes RAMOS

    2010-03-01

    Full Text Available

    Este trabalho teve por objetivo avaliar o teor de amido resistente (AR em farinhas de banana verde produzidas a partir de treze genótipos de bananeira. Para a produção da farinha foram separadas a 1ª, 3ª e 5ª pencas de cada genótipo, na qual cada penca correspondeu a uma repetição. Os frutos de cada penca no estádio 1 (casca completamente verde de maturação foram descascados manualmente, cortados em fatias circulares de 0,5 cm e desidratados em estufa com circulação de ar a 40ºC por 48 horas, sendo em seguida moídos. A análise de AR consistiu em um processo enzimático, calculando-se o conteúdo final pela concentração de glicose liberada. Os resultados foram submetidos à análise estatística e mostraram diferenças significativas para o teor de AR nas farinhas obtidas dos genótipos de bananeira, sendo que a farinha com maior teor de AR foi a produzida a partir do cultivar ‘Nam’ (40,25% e a menor pelo híbrido ‘Fhia 01’ (10,01%. Pode-se concluir que o conteúdo de AR varia em relação ao genótipo utilizado para a confecção da farinha e que a banana pode ser uma boa opção de estudo de alimento funcional.

  17. Studies of muonium-substituted molecules in 2-propanone and in aqueous solutions of 2-propanone

    International Nuclear Information System (INIS)

    Cox, S.F.J.; Renzi, R. De; Scott, C.A.; Hill, A.; Symons, M.C.R.; Bucci, C.; Vecli, A.

    1984-04-01

    The paper deals with muonium substituted molecules, which are formed when positive muons are implanted in pure 2-propanone and in binary aqueous systems; and are studied by the muon spin rotation technique. Studies of muonium substituted molecules are discussed under five topic headings: hyperfine interaction, influence of the solvent, radical formation, diamagnetic fraction and linewidths. (U.K.)

  18. Substituted N-Benzylpyrazine-2-carboxamides: Synthesis and Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Katarína Kráľová

    2012-11-01

    Full Text Available A series of twelve amides was synthesized via aminolysis of substituted pyrazinecarboxylic acid chlorides with substituted benzylamines. Compounds were characterized with analytical data and assayed in vitro for their antimycobacterial, antifungal, antibacterial and photosynthesis-inhibiting activity. 5-tert-Butyl-6-chloro-N-(4-methoxybenzylpyrazine-2-carboxamide (12 has shown the highest antimycobacterial activity against Mycobacterium tuberculosis (MIC = 6.25 µg/mL, as well as against other mycobacterial strains. The highest antifungal activity against Trichophyton mentagrophytes, the most susceptible fungal strain tested, was found for 5-chloro-N-(3-trifluoromethylbenzyl-pyrazine-2-carboxamide (2, MIC = 15.62 µmol/L. None of the studied compounds exhibited any activity against the tested bacterial strains. Except for 5-tert-butyl-6-chloro-N-benzylpyrazine-2-carboxamide (9, IC50 = 7.4 µmol/L and 5-tert-butyl-6-chloro-N-(4-chlorobenzylpyrazine-2-carboxamide (11, IC50 = 13.4 µmol/L, only moderate or weak photosynthesis-inhibiting activity in spinach chloroplasts (Spinacia oleracea L. was detected.

  19. Studies on compensating valency substituted BaTi (Mnx/2Nbx/2O3 ...

    Indian Academy of Sciences (India)

    Studies on compensating valency substituted BaTi(1-)Mn/2Nb/2O3 ceramics ... Annealing is observed to improve quality factor `' of the materials with a ... material engineering efforts are required to improve the material properties.

  20. Diarylthiophenes as inhibitors of the pore-forming protein perforin

    OpenAIRE

    Miller, Christian K.; Huttunen, Kristiina M.; Denny, William A.; Jaiswal, Jagdish K.; Ciccone, Annette; Browne, Kylie A.; Trapani, Joseph A.; Spicer, Julie A.

    2016-01-01

    Evolution from a furan-containing high-throughput screen (HTS) hit (1) resulted in isobenzofuran-1(3H)-one (2) as a potent inhibitor of the function of both isolated perforin protein and perforin delivered in situ by intact KHYG-1 NK cells. In the current study, structure?activity relationship (SAR) development towards a novel series of diarylthiophene analogues has continued through the use of substituted-benzene and -pyridyl moieties as bioisosteres for 2-thioxoimidazolidin-4-one (A) on a t...

  1. The Pr and Ca substitution in GdBa2Cu3O7-8

    International Nuclear Information System (INIS)

    Shakeri, H.; Akhavan, M.

    2002-01-01

    The granular Gd 1 -x-zPr x Ca z Ba 2 Cu 3 O 7 -8 (Gd Pr Ca-123) high-temperature cuprate samples with 0.0≤x≤0.3 and 0.0≤z≤0.35 are prepared by standard solid state reaction and characterized by XRD and SEM techniques. The BaCuO 2 and impurity phases are less than 1% in the samples having high levels of Pr and Ca concentrations. The electrical resistivity measurements show a nonlinear reduction in T c (x,z=etc) versus x. Moreover, the T c (z) curve with x=0 is nonlinear and a plateau appears at z≅0.05-0.015. For Pr-Ca-doped samples with a constant concentration of Pr, T c increases with the increase of Ca up to an optimum value of Ca doping and then in decreases. Based on these observations, we suggest that hole filling and hole localization the main effects of Pr ion substitution. The magnetic measurements indicate that the value of H C 1 is in the order of 10 m T. The magnetoresistance measurements have been measured and analyzed. The superconducting transition region is broadened by the application of magnetic field. The experimental data near the on sen of superconductivity are fitted with the Ambegakor and Halperin (A H) phase-slip model. We observe that the A H parameter, γ(H), depends not only on the temperature and the magnetic field, but also on the Pr and Ca ions concentrations. It is observed that the critical current density increases with Ca substitution and decreases with pr substitution in Gd-123 system. We suggest that the pr ion substitution probably enhances the weak link, but the Ca ion acts as flux pinning center in the Gd Pr Ca-123 system

  2. Synthesis and characterization of novel substituted N-benzothiazole-2-yl-acetamides

    Directory of Open Access Journals (Sweden)

    H.C. Sakarya

    2016-11-01

    Full Text Available Schiff base derivatives of benzothiazole 2a–e have been synthesized by reacting with substituted 2-aminobenzothiazole 1a–e and different substituted benzaldehydes 5a–e. The obtained Schiff bases reaction with NaBH4 has afforded the corresponding some novel amines 3a–e. The condensation of amines with chloroacetylchloride leads to novel amide derivatives 4a–e. The structures of the synthesized compounds are characterized by elemental analysis, IR, MS, 1H NMR and 13C NMR.

  3. Direct no-carrier-added 18F-labelling of arenes via nucleophilic substitution on aryl(2-thienyl)iodonium salts

    International Nuclear Information System (INIS)

    Ross, T.L.

    2006-01-01

    For in vivo imaging of molecular processes via positron emission tomography (PET) radiotracers of high specific activity are demanded. In case of the most commonly used positron emitter fluorine-18, this is only achievable with no-carrier-added [ 18 F]fluoride, which implies nucleophilic methods of 18 F-substitution. Whereas electron deficient aromatic groups can be labelled in one step using no-carrier-added [ 18 F]fluoride, electron rich 18 F-labelled aromatic molecules are only available by multi-step radiosyntheses or carrier-added electrophilic reactions. Here, diaryliodonium salts represent an alternative, since they have been proven as potent precursor for a direct nucleophilic 18 F-introduction into aromatic molecules. Furthermore, as known from non-radioactive studies, the highly electron rich 2-thienyliodonium leaving group leads to a high regioselectivity in nucleophilic substitution reactions. Consequently, a direct nucleophilic no-carrier-added 18 F-labelling of electron rich arenes via aryl(2-thienyl)iodonium precursors was developed in this work. The applicability of direct nucleophilic 18 F-labelling was examined in a systematic study on eighteen aryl(2-thienyl)iodonium salts. As electron rich precursors the ortho-, meta- and para-methoxyphenyl(2-thienyl)iodonium bromides, iodides, tosylates and triflates were synthesised. In addition, para-substituted (R=BnO, CH 3 , H, Cl, Br, I) aryl(2-thienyl)iodonium bromides were prepared as precursors with a systematically varying electron density. As first approach, the general reaction conditions of the nucleophilic 18 F-substitution procedure were optimised. The best conditions for direct nucleophilic no-carrier-added 18 F-labelling via aryl(2-thienyl)iodonium salts were found with dimethylformamide as solvent, a reaction temperature of 130±3 C and 25 mmol/l as concentration of the precursor. (orig.)

  4. Efficient Decarbonylation of Furfural to Furan Catalyzed by Zirconia-Supported Palladium Clusters with Low Atomicity.

    Science.gov (United States)

    Ishida, Tamao; Kume, Kurumi; Kinjo, Kota; Honma, Tetsuo; Nakada, Kengo; Ohashi, Hironori; Yokoyama, Takushi; Hamasaki, Akiyuki; Murayama, Haruno; Izawa, Yusuke; Utsunomiya, Masaru; Tokunaga, Makoto

    2016-12-20

    Decarbonylation of furfural to furan was efficiently catalyzed by ZrO 2 -supported Pd clusters in the liquid phase under a N 2 atmosphere without additives. Although Pd/C and Pd/Al 2 O 3 have frequently been used for decarbonylation, Pd/ZrO 2 exhibited superior catalytic performance compared with these conventional catalysts. Transmission electron microscopy and X-ray absorption fine structure measurements revealed that the size of the Pd particles decreased with an increase in the specific surface area of ZrO 2 . ZrO 2 with a high surface area immobilized Pd as clusters consisting of several (three to five) Pd atoms, whereas Pd aggregated to form nanoparticles on other supports such as carbon and Al 2 O 3 despite their high surface areas. The catalytic activity of Pd/ZrO 2 was enhanced with a decrease in particle size, and the smallest Pd/ZrO 2 was the most active catalyst for decarbonylation. When CeO 2 was used as the support, a decrease in Pd particle size with an increase in surface area was also observed. Single Pd atoms were deposited on CeO 2 with a high surface area, with a strong interaction through the formation of a Pd-O-Ce bond, which led to a lower catalytic activity than that of Pd/ZrO 2 . This result suggests that zero-valent small Pd clusters consisting of more than one Pd atom are the active species for the decarbonylation reaction. Recycling tests proved that Pd/ZrO 2 maintained its catalytic activity until its sixth use. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Funcionalidade da oleoresina de páprica microencapsulada em goma-arábica e amido de arroz/gelatina.

    OpenAIRE

    SANTOS, A.B.; FÁVARO-TRINDADE, C.S.; GROSSO, C.R.F.

    2006-01-01

    O objetivo deste trabalho foi avaliar a funcionalidade da oleoresina de páprica microencapsulada em goma-arábica e amido de arroz/gelatina, incorporada nos sistemas-modelo bolo e gel de gelatina. Avaliou-se a cor por meio de medida instrumental e aceitação sensorial por atributos de aparência e aceitação global. O pigmento encapsulado solubilizou-se, tingiu e se distribuiu uniformemente nos bolos, os quais apresentaram boa aceitação global. Nos géis, a goma apresentou desempenho superior ao a...

  6. Simultaneous detoxification and bioethanol fermentation of furans-rich synthetic hydrolysate by digestate-based pyrochar.

    Science.gov (United States)

    Sambusiti, C; Monlau, F; Antoniou, N; Zabaniotou, A; Barakat, A

    2016-12-01

    Pyrolysis is a sustainable pathway to transform renewable biomasses into both biofuels and advanced carbonaceous materials (i.e. pyrochar) which can be used as adsorbent of furan compounds. In particular, the aim of this study was to: i) evaluate the effect of vibro-ball milling on physical characteristics of pyrochar and its consequent performance on solely detoxification of a synthetic medium, containing furans and soluble sugars; ii) study the simultaneous detoxification and bioethanol fermentation, by adding activated pyrochar into fermentation medium. Results demonstrated that, compared to untreated pyrochar, the use of milled pyrochar increased by 52% furfural removal from the synthetic medium. Furfural removal rate was also increased (adsorption kinetic constant increased from 0.015 min -1 up to 0.215 min -1 ), at a pyrochar loading of 40 g L -1 . Although, the simultaneous addition of pyrochar into the fermentation medium did not improve the bioethanol yield of the synthetic medium, it has significantly increased the bioethanol production rate. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Rational design of intrinsically ultramicroporous polyimides containing bridgehead-substituted triptycene for highly selective and permeable gas separation membranes

    KAUST Repository

    Swaidan, Raja

    2014-08-12

    Highly ultramicroporous, solution-processable polyimides bearing 9,10-bridgehead-substituted triptycene demonstrated the highest BET surface area reported for polyimides (840 m2 g-1) and several new highs in gas selectivity and permeability for hydrogen (1630-3980 barrers, H2/CH4 ∼ 38) and air (230-630 barrers, O 2/N2 = 5.5-5.9) separations. Two new dianhydrides bearing 9,10-diethyl- and 9,10-dipropyltriptycenes indicate that the ultramicroporosity is optimized for fast polymeric sieving with the use of short, bulky isopropyl bridgeheads and methyl-substituted diamines (TrMPD, TMPD, and TMBZ) that increase intrachain rigidity. Mechanically, the triptycene-based analogue of a spirobisindane-based polyimide exhibited 50% increases in both tensile strength at break (94 MPa) and elastic modulus (2460 MPa) with corresponding 90% lower elongations at break (6%) likely due to the ability of highly entangled spiro-based chains to unwind. To guide future polyimide design, structure/property relationships are suggested between the geometry of the contortion center, the diamine and bridgehead substituent, and the mechanical, microstructural, and gas transport properties. © 2014 American Chemical Society.

  8. Rational design of intrinsically ultramicroporous polyimides containing bridgehead-substituted triptycene for highly selective and permeable gas separation membranes

    KAUST Repository

    Swaidan, Raja; Al-Saeedi, Majed; Ghanem, Bader; Litwiller, Eric; Pinnau, Ingo

    2014-01-01

    Highly ultramicroporous, solution-processable polyimides bearing 9,10-bridgehead-substituted triptycene demonstrated the highest BET surface area reported for polyimides (840 m2 g-1) and several new highs in gas selectivity and permeability for hydrogen (1630-3980 barrers, H2/CH4 ∼ 38) and air (230-630 barrers, O 2/N2 = 5.5-5.9) separations. Two new dianhydrides bearing 9,10-diethyl- and 9,10-dipropyltriptycenes indicate that the ultramicroporosity is optimized for fast polymeric sieving with the use of short, bulky isopropyl bridgeheads and methyl-substituted diamines (TrMPD, TMPD, and TMBZ) that increase intrachain rigidity. Mechanically, the triptycene-based analogue of a spirobisindane-based polyimide exhibited 50% increases in both tensile strength at break (94 MPa) and elastic modulus (2460 MPa) with corresponding 90% lower elongations at break (6%) likely due to the ability of highly entangled spiro-based chains to unwind. To guide future polyimide design, structure/property relationships are suggested between the geometry of the contortion center, the diamine and bridgehead substituent, and the mechanical, microstructural, and gas transport properties. © 2014 American Chemical Society.

  9. Development of new biomass-based furan/glass composites manufactured by the double-vacuum-bag technique

    DEFF Research Database (Denmark)

    Dominguez, Juan Carlos; Madsen, Bo

    2015-01-01

    of conventional thermosetting/glass composites, but with lower strength. The findings of the present study show that a more efficient water removal during manufacturing, a lower porosity content and a less brittle stress–strain behaviour of the furan matrix are to be addressed to further improve the properties...

  10. Synthesis of furan-based DNA binders and their interaction with DNA

    International Nuclear Information System (INIS)

    Voege, Andrea; Hoffmann, Sascha; Gabel, Detlef

    2006-01-01

    In recent years, many substances, based on naturally occurring DNA-binding molecules have been developed for the use in cancer therapy and as virostatica. Most of these substances are binding specifically to A-T rich sequences in the DNA minor groove. Neutral and positively charged DNA-binders are known. BNCT is most effective, which the boron is directly located in the cellular nucleus, so that the intercation with thermal neutrons can directly damage the DNA. To reach this aim, we have connected ammonioundecahydrododecaborate(1-) to DNA-binding structures such as 2,5-bis(4-formylphenyl)furan via a Schiff-Base reaction followed by a reduction of the imine to a secondary amine. In a following step the amine can be alkylated to insert positive charges to prevent repulsion between the compounds and the negatively charged sugar-phosphate-backbone of the DNA. (author)

  11. Thermodynamic studies on charge-coupled substituted synthetic monazite

    Energy Technology Data Exchange (ETDEWEB)

    Rawat, D. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Phapale, S. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Mishra, R., E-mail: mishrar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Dash, S. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2017-04-15

    Phosphate-based monazite ceramic is considered worldwide as a potential crystalline host matrix for immobilization of long-lived tri- and tetra-valent actinides present in high-level nuclear waste. Monazite is chemically stable with respect to the leaching processes and has high radiation stability. The present paper describes the influence of charged coupled (Ca{sup 2+}, Th{sup 4+}) substitution in place of La{sup 3+} on thermodynamic stability of synthetic monazite ceramics. XRD-analysis of Ca, Th substituted LaPO{sub 4} viz., La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} (0 ≤ x ≤ 1) points to the formation of ideal solid-solution in the entire range of composition. However, thermodynamic analysis indicates deviation from ideal solid-solution with a minima at x = 0.25. The substituted La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} system is found to be iso-entropic and stabilized mainly by enthalpy. Enthalpies of formation as a function of Ca{sup 2+}, Th{sup 4+} substitution were analysed to provide insights into the development of thermodynamically stable nuclear waste matrix.

  12. Synthesis and substitution reactions of palladium(II) complexes with 2,2'-Bipyridine and 1,10-Phenanthroline

    International Nuclear Information System (INIS)

    Zaghal, M. H.; Al-Lawatia, S.

    1996-01-01

    The complexes cis-[Pd (Nn)CI 2 ] [Nn=2,2'-bipyridine (b py) and 1,10-phenanthroline (phen)] have been prepared via a new method by reacting the benzonitrile complex cis-[Pd(Ph CN) 2 CI 2 ] with the ligands. This method gives the products rapidly, in a pure state and in high yields. The substitution reactions of cis-[Pd(Nn)CI 2 ] (Nn=b py and phen) with Br - and I - have been attempted. The complexes cis-[Pd(Nn)X 2 ] (Nn=b py or phen; X Br, I) have been isolated. The products have been characterized by elemental analysis, conductivity measurements, and infrared, electronics absorption and 1 H NMR spectra. (authors). 26 refs., 1 tab

  13. DNA condensation by partially acetylated poly(amido amine) dendrimers: effects of dendrimer charge density on complex formation.

    Science.gov (United States)

    Yu, Shi; Li, Ming-Hsin; Choi, Seok Ki; Baker, James R; Larson, Ronald G

    2013-09-03

    The ability of poly(amido amine) (or PAMAM) dendrimers to condense semiflexible dsDNA and penetrate cell membranes gives them great potential in gene therapy and drug delivery but their high positive surface charge makes them cytotoxic. Here, we describe the effects of partial neutralization by acetylation on DNA condensation using light scattering, circular dichroism, and single molecule imaging of dendrimer-DNA complexes combed onto surfaces and tethered to those surfaces under flow. We find that DNA can be condensed by generation-five (G5) dendrimers even when the surface charges are more than 65% neutralized, but that such dendrimers bind negligibly when an end-tethered DNA is stretched in flow. We also find that when fully charged dendrimers are introduced by flow to end-tethered DNA, all DNA molecules become equally highly coated with dendrimers at a rate that becomes very fast at high dendrimer concentration, and that dendrimers remain bound during subsequent flow of dendrimer-free buffer. These results suggest that the presence of dendrimer-free DNA coexisting with dendrimer-bound DNA after bulk mixing of the two in solution may result from diffusion-limited irreversible dendrimer-DNA binding, rather than, or in addition to, the previously proposed cooperative binding mechanism of dendrimers to DNA.

  14. DNA Condensation by Partially Acetylated Poly(amido amine Dendrimers: Effects of Dendrimer Charge Density on Complex Formation

    Directory of Open Access Journals (Sweden)

    Ronald G. Larson

    2013-09-01

    Full Text Available The ability of poly(amido amine (or PAMAM dendrimers to condense semiflexible dsDNA and penetrate cell membranes gives them great potential in gene therapy and drug delivery but their high positive surface charge makes them cytotoxic. Here, we describe the effects of partial neutralization by acetylation on DNA condensation using light scattering, circular dichroism, and single molecule imaging of dendrimer-DNA complexes combed onto surfaces and tethered to those surfaces under flow. We find that DNA can be condensed by generation-five (G5 dendrimers even when the surface charges are more than 65% neutralized, but that such dendrimers bind negligibly when an end-tethered DNA is stretched in flow. We also find that when fully charged dendrimers are introduced by flow to end-tethered DNA, all DNA molecules become equally highly coated with dendrimers at a rate that becomes very fast at high dendrimer concentration, and that dendrimers remain bound during subsequent flow of dendrimer-free buffer. These results suggest that the presence of dendrimer-free DNA coexisting with dendrimer-bound DNA after bulk mixing of the two in solution may result from diffusion-limited irreversible dendrimer-DNA binding, rather than, or in addition to, the previously proposed cooperative binding mechanism of dendrimers to DNA.

  15. One-step catalytic conversion of biomass-derived carbohydrates to liquid fuels

    Science.gov (United States)

    Sen, Ayusman; Yang, Weiran

    2014-03-18

    The invention relates to a method for manufacture of hydrocarbon fuels and oxygenated hydrocarbon fuels such as alkyl substituted tetrahydrofurans such as 2,5-dimethyltetrahydrofuran, 2-methyltetrahydrofuran, 5-methylfurfural and mixtures thereof. The method generally entails forming a mixture of reactants that includes carbonaceous material, water, a metal catalyst and an acid reacting that mixture in the presence of hydrogen. The reaction is performed at a temperature and for a time sufficient to produce a furan type hydrocarbon fuel. The process may be adapted to provide continuous manufacture of hydrocarbon fuels such as a furan type fuel.

  16. Poly(amido-amine)-based hydrogels with tailored mechanical properties and degradation rates for tissue engineering.

    Science.gov (United States)

    Martello, Federico; Tocchio, Alessandro; Tamplenizza, Margherita; Gerges, Irini; Pistis, Valentina; Recenti, Rossella; Bortolin, Monica; Del Fabbro, Massimo; Argentiere, Simona; Milani, Paolo; Lenardi, Cristina

    2014-03-01

    Poly(amido-amine) (PAA) hydrogels containing the 2,2-bisacrylamidoacetic acid-4-amminobutyl guanidine monomeric unit have a known ability to enhance cellular adhesion by interacting with the arginin-glycin-aspartic acid (RGD)-binding αVβ3 integrin, expressed by a wide number of cell types. Scientific interest in this class of materials has traditionally been hampered by their poor mechanical properties and restricted range of degradation rate. Here we present the design of novel biocompatible, RGD-mimic PAA-based hydrogels with wide and tunable degradation rates as well as improved mechanical and biological properties for biomedical applications. This is achieved by radical polymerization of acrylamide-terminated PAA oligomers in both the presence and absence of 2-hydroxyethylmethacrylate. The degradation rate is found to be precisely tunable by adjusting the PAA oligomer molecular weight and acrylic co-monomer concentration in the starting reaction mixture. Cell adhesion and proliferation tests on Madin-Darby canine kidney epithelial cells show that PAA-based hydrogels have the capacity to promote cell adhesion up to 200% compared to the control. Mechanical tests show higher compressive strength of acrylic chain containing hydrogels compared to traditional PAA hydrogels. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  17. Avaliação sensorial de doce de leite pastoso com diferentes concentrações de amido Sensory evaluation of doce de leite with different concentrations of starch

    Directory of Open Access Journals (Sweden)

    Francisco Eneias Konkel

    2004-06-01

    Full Text Available O doce de leite é um importante alimento regional, produzido e consumido em grande escala no Brasil e na Argentina. Há grande heterogeneidade da qualidade desse produto, ocorrendo inclusive fraudes com excesso de adição de amido. O presente trabalho teve como objetivo avaliar a preferência de amostras de doce de leite obtidas em laboratório com quantidades conhecidas de amido e a atitude de consumidores frente a duas amostras comerciais, contendo 1,0 e 7,6% de amido. O método de ordenação foi utilizado na avaliação da preferência das amostras produzidas em laboratório. Verificou-se o nível de aceitação das amostras através de escala hedônica de 9 pontos, no qual 50 julgadores avaliaram as amostras pelos atributos cor, consistência, sabor e doçura. As amostras comerciais foram avaliadas através de uma escala de ação. Nas amostras produzidas em laboratório verificou-se que não houve diferença significativa quanto à preferência (p>0,05 no teste de ordenação e, na avaliação da aceitação por atributos verificou-se que amostras menos doces e com valores intermediários de cor e consistência foram preferidas. Para as amostras comerciais a média de aceitação foi de 6,7 para o produto com teor permitido de amido e 4,9 para aquela com excesso de amido.The doce de leite is an important regional food produced and consumed in large scale in Brazil and Argentina. There are many problems related to the quality standardization, mainly the excess of starch addition. In the present paper the sensory evaluation of samples produced in the laboratory containing known amounts of starch and two commercial samples with 1.0 and 7.6% of starch was performed. The ranking test was employed for preference evaluation of the laboratory samples. An acceptance test using an hedonic scale was carried out with 50 panelists that evaluated the samples by considering their color, consistency, taste and sweetness. The commercial samples were

  18. Small band gap copolymers based on furan and diketopyrrolopyrrole for field-effect transistors and photovoltaic cells

    NARCIS (Netherlands)

    Bijleveld, Johan C.; Karsten, Bram P.; Mathijssen, Simon G.J.; Wienk, Martijn M.; Leeuw, Dago M. de; Janssen, René A.J.

    2011-01-01

    Four small band gap semiconducting copolymers based on electron deficient diketopyrrolopyrrole alternating with electron rich trimers containing furan and benzene or thiophene have been synthesized via Suzuki polymerization. The polymers have optical band gaps between 1.4 and 1.6 eV, optimized for

  19. PELÍCULAS BIODEGRADABLES BASADAS EN ALMIDÓN COMPOSIÇÃO E TRANSFORMAÇÃO DE FILMES BIODEGRADÁVEIS À BASE DE AMIDO COMPOSITION AND PROCESSING OF STARCH-BASED BIODEGRADABLE FILMS

    Directory of Open Access Journals (Sweden)

    MARIO ENRÍQUEZ C

    2012-06-01

    componentes mais comuns utilizados na elaboração de filmes biodegradáveis baseados em amido e os principais métodos de processamento para obtê-los.Starch is a promissory polymer to biodegradable films development for replacement traditional package materials due to it´s cheap, highly available and comes from natural resources. However, films made with starch only has limitations like poor mechanical properties, high vapor water permeability, retrogradation tendency, high rigidity, brittle, and others when compared to traditional synthetic films. To avoid these limitations is necessary to mix and blend starch with other substances with the aim of create filmogenic formulations and films like the synthetic ones. Below is a review made from patents and scientific articles complemented in which are listed more common components used for biodegradable starch-based films manufacturing and main processing methods.

  20. Synthesis, characterization and electrochemical performance of Al-substituted Li_2MnO_3

    International Nuclear Information System (INIS)

    Torres-Castro, Loraine; Shojan, Jifi; Julien, Christian M.; Huq, Ashfia; Dhital, Chetan; Paranthaman, Mariappan Parans; Katiyar, Ram S.; Manivannan, Ayyakkannu

    2015-01-01

    Graphical abstract: Comparison of the cycling performances for pure Li_2MnO_3 and Al-substituted Li_2MnO_3 compounds at a current density of 10 mAh g"−"1 for 100 cycles. Al-substitution increases the spinel phase and hence improves the cycling behavior. - Highlights: • Pure and Al-doped Li_2MnO_3 compounds were synthesized by a Pechini method. • Presence of monoclinic and spinel phases confirmed by Raman and Neutron diffraction. • Al substitution occurs at both Mn and Li sites in Li_2MnO_3 structure. • Al substitution reduces Mn valence state and promotes spinel phase formation. • Stable cycling capacity of 70 mAh g"−"1 was observed for nominal Li_0_._5Al_0_._5MnO_3. - Abstract: Li_2MnO_3 is known to be electrochemically inactive due to Mn in tetravalent oxidation state. Several compositions such as Li_2MnO_3, Li_1_._5Al_0_._1_7MnO_3, Li_1_._0Al_0_._3_3MnO_3 and Li_0_._5Al_0_._5MnO_3 were synthesized by a sol–gel Pechini method. All the samples were characterized with XRD, Raman, XPS, SEM, Tap density and BET analyzer. XRD patterns indicated the presence of monoclinic phase for pristine Li_2MnO_3 and mixed monoclinic/spinel phases (Li_2_−_xMn_1_−_yAl_x_+_yO_3_+_z) for Al-substituted Li_2MnO_3 compounds. The Al substitution seems to occur both at Li and Mn sites, which could explain the presence of spinel phase. XPS analysis for Mn 2p orbital reveals a significant decrease in binding energy for Li_1_._0Al_0_._3_3MnO_3 and Li_0_._5Al_0_._5MnO_3 compounds. Cyclic voltammetry, charge/discharge cycles and electrochemical impedance spectroscopy were also performed. A discharge capacity of 24 mAh g"−"1 for Li_2MnO_3, 68 mAh g"−"1 for Li_1_._5Al_0_._1_7MnO_3, 58 mAh g"−"1 for Li_1_._0Al_0_._3_3MnO_3 and 74 mAh g"−"1 for Li_0_._5Al_0_._5MnO_3 were obtained. Aluminum substitutions increased the formation of spinel phase which is responsible for cycling.

  1. Effects of solvent-solute interactions on the stereochemical course in high energy chlorine-38-for chlorine substitution in meso- and rac-1,2-dichloro-1,2-difluoroethane in solution

    International Nuclear Information System (INIS)

    Acciani, T.R.; Su, Y.Y.; Ache, H.J.; Rack, E.P.

    1978-01-01

    The stereochemistry of the chlorine-38-for-chlorine substitution was studied in diastereomeric 1,2-dichloro-1,2-difluoroethanes in solutions. The experimental results are very similar to those previously observed in meso- and d,l-2,4-dichloropentane solutions which by analogy suggest that the stereochemical course of the substitution process is in the present system also predominantly and directly controlled by the properties of the solvent molecules, most likely by the factors which govern the magnitude of intermolecular interaction between reactants and solvents. It appears that strong intermolecular interaction favors substitution via retention of configuration, whereas in solvents having a low dielectric constant the retention/inversion ratio decreases. These results seem further to suggest that if the reaction occurs via the previously postulated caged complex or excited intermediate that the primary attack by the energetic 38 Cl proceeds via both front and backside replacement

  2. Otimização das condições de hidrolise acida do amido de mandioca para obtenção de substituto de gordura : Caracterização de hidrolisados e aplicação em bolos

    OpenAIRE

    Francy Magdalena Zambrano Sarmiento Console

    1998-01-01

    Resumo: Estudos internacionais têm demonstrado que existe relação entre os ataques cardíacos e o elevado consumo de gordura. Para reduzir estes riscos, têm sido utilizados substitutos de gordura a base de amido com características funcionais similares às da gordura e com menor valor caiórico. Neste estudo, foi avaliado, em dois ensaios, o efeito da hidrólise ácida do amido de mandioca nativo visando obter um produto com características de substituto de gordura para aplicação em bolos. No ensa...

  3. CHLOROBENZENES, CHLOROPHENOLS, PHAS AND LOW CHLORINATED DIOXIN/FURAN POST-BOILER TOXICITY INDICATORS IN MUNICIPAL SOLID WASTE INCINERATORS

    Science.gov (United States)

    Research has sought indicator compounds for fast and less costly predictive monitoring of polychlorinated dibenzo-p-dioxin and furans, PCDD/F, toxic equivalent concentrations or TEQs. Studies have shown chlorobenzenes and chlorophenols had a good correlation with TEQ, suggesting ...

  4. Pb-for-Bi substitution for enhancing thermoelectric characteristics of [(Bi,Pb)2Ba2O4+/-ω]0.5CoO2

    Science.gov (United States)

    Sakai, K.; Karppinen, M.; Chen, J. M.; Liu, R. S.; Sugihara, S.; Yamauchi, H.

    2006-06-01

    We report strongly enhanced thermoelectric characteristics for a misfit-layered oxide, [Bi2Ba2O4±ω]0.5CoO2, in a wide temperature range, as achieved through substituting up to 20% of Bi by Pb. The Pb substitution kept the thermal conductivity (κ) unchanged but decreased the electrical resistivity (ρ) and increased the Seebeck coefficient (S) simultaneously, such that a three-fold enhancement in the thermoelectric figure of merit, Z (≡S2/ρκ), was realized. At the same time x-ray absorption near-edge structure data indicated that the valence and spin states of Co are not affected by the Pb-for-Bi substitution.

  5. Fluorine substitution and nonconventional OH...pi intramolecular bond: high-resolution UV spectroscopy and ab initio calculations of 2-(p-fluorophenyl)ethanol.

    Science.gov (United States)

    Karaminkov, Rosen; Chervenkov, Sotir; Neusser, Hans J

    2008-05-21

    The para-fluorinated flexible neurotransmitter analogue 2-phenylethanol has been investigated by highly resolved resonance-enhanced two-photon ionisation two-colour UV laser spectroscopy with mass resolution and ab initio structural optimisations and energy calculations. Two stable conformations, gauche and anti, separated by a high potential barrier have been identified in the cold molecular beam by rotational analysis of the vibronic band structures. The theoretically predicted higher-lying conformations most likely relax to these two structures during the adiabatic expansion. The lowest-energy gauche conformer is stabilised by an intramolecular nonconventional OH...pi-type hydrogen bond between the terminal OH group of the side chain and the pi electrons of the phenyl ring. The good agreement between the experimental and theoretical results demonstrates that even the substitution with a strongly electronegative atom of 2-phenylethanol at the para position has no noticeable effect on the strength and orientation of the OH...pi bond.

  6. Estudo do amido de farinhas comerciais comestíveis Characterization of commercial edible starch flours

    Directory of Open Access Journals (Sweden)

    Bianca N. B. Lima

    2012-01-01

    Full Text Available O amido em quatro tipos de farinhas comerciais para uso doméstico em preparações culinárias foi caracterizado pelas técnicas de espectroscopia de absorção na região do infravermelho com Transformada de Fourier (FTIR, difração de raios X (DRX, análise termogravimétrica e ressonância magnética nuclear de baixo campo, por meio da determinação do tempo de relaxação spin-rede do núcleo de hidrogênio (T1H.Four commercial flour samples with starch components were studied. They were characterized by Infrared spectroscopy, X-ray diffraction, thermogravimetric analysis and low field NMR (T1H.

  7. On the substitution of Sr ions at Y sites in YBa2Cu3O7-d

    International Nuclear Information System (INIS)

    Siddiqi, S.A.; Sreedhar, K.; Drobac, D.; Infante, C.; Matacotta, F.C.; Ganguly, P.

    1989-10-01

    The effect of Sr substitution at the Ba sites in YBa 2 Cu 3 O 7-d has been studied, attempts to substitute Sr exclusively at Y sites have not been successful. We have been able to substitute Sr at Y sites only when the Ba ions are simultaneously substituted by Sr to give solid solutions of the type Y 1-x Sr x Ba 2-2x Sr 2x Cu 3 O 7- x /2-d . These examples show superconducting transitions higher than 78K without significant deterioration in the magnitude of the ac susceptibility. The substitutions are best understood in terms of site constraints on the ions occupying the Y and Ba sites. 4 refs, 2 figs, 2 tabs

  8. Moisture diffusion coefficients determination of furan bonded sands and water based foundry coatings

    DEFF Research Database (Denmark)

    Di Muoio, Giovanni Luca; Tiedje, Niels Skat

    2016-01-01

    Moisture content in furan bonded sand and water based coatings can be one of the main causes for gas related defects in large cast iron parts. Moisture diffusion coefficients for these materials are needed to precisely predict the possible moisture levels in foundry moulds. In this study, we first...... provide an example on how it is possible to apply this knowledge to estimate moisture variation in a sand mould during production....

  9. A Scalable Method for Regioselective 3-Acylation of 2-Substituted Indoles under Basic Conditions

    DEFF Research Database (Denmark)

    Johansson, Karl Henrik; Urruticoechea, Andoni; Larsen, Inna

    2015-01-01

    Privileged structures such as 2-arylindoles are recurrent molecular scaffolds in bioactive molecules. We here present an operationally simple, high yielding and scalable method for regioselective 3-acylation of 2-substituted indoles under basic conditions using functionalized acid chlorides. The ....... The method shows good tolerance to both electron-withdrawing and donating substituents on the indole scaffold and gives ready access to a variety of functionalized 3-acylindole building blocks suited for further derivatization....

  10. Heterolytic cleavage of ammonia N-H bond by bifunctional activation in silica-grafted single site Ta(V) imido amido surface complex. Importance of the outer sphere NH3 assistance

    KAUST Repository

    Gouré , Eric; Avenier, Priscilla; Solá ns, Xavier Luis; Veyre, Laurent; Baudouin, Anne Christine; Kaya, Yasemin; Taoufik, Mostafa; Basset, Jean-Marie; Eisenstein, Odile; Quadrelli, Elsje Alessandra

    2011-01-01

    and imido groups have accessible energy barriers. The energy barrier for the ammonia N-H activation by the Ta-amido group is energetically preferred relative to the Ta-imido group. The importance of excess NH3 for getting full isotope scrambling

  11. The superconducting gaps of C-substituted and Al-substituted MgB2 single crystals by point-contact spectroscopy

    International Nuclear Information System (INIS)

    Daghero, D.; Gonnelli, R.S.; Ummarino, G.A.; Calzolari, A.; Dellarocca, Valeria; Stepanov, V.A.; Zhigadlo, N.; Kazakov, S.M.; Karpinski, J.

    2005-01-01

    We studied the effects of carbon and aluminum substitutions on the gaps of the two-band superconductor MgB 2 by means of point-contact measurements in Mg(B 1-x C x ) 2 and Mg 1-y Al y B 2 single crystals with 0≤x≤0.132 and 0≤y≤0.21. The gap amplitudes, Δ ω and Δ π , were determined by fitting the conductance curves of the point contacts with the standard Blonder-Tinkham-Klapwijk (BTK) model generalized to the two-band case. Whenever possible, their values were confirmed by the independent fit (with a single-band BTK model) of the partial contribution of the two bands to the conductance, separated by means of a suitable magnetic field B*. In C-substituted crystals, the two gaps remain clearly distinct up to x∝0.10, but at x=0.132 we observed for the first time their merging into a single gap Δ≅3 meV with a gap ratio 2Δ=k B T c close to the standard BCS value. In Al-substituted crystals, we found no evidence of this gap merging. Instead, Δ π reaches the value 0.4 meV at y=0.21, where Δ π saturates at about 4 meV. These results are compared with other recent experimental findings in polycrystals and with the predictions of the models for multiband superconductivity. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. The formation of electronically excited fragments by the electron impact of furan and related five-membered heterocycles

    International Nuclear Information System (INIS)

    Tokue, Ikuo; Ikarashi, Masami; Takizawa, Sadachika; Ito, Yoshio

    1983-01-01

    In the wavelength region of 200-600 nm, photoemissions from electronically excited H, CH, C 2 , and CS (only from thiophene and tetrahydrothiophene) were observed when furan, tetrahydrofuran, thiophene, and tetrahydrothiophene were excited by electron impact (0-70 eV). Hydrogen atoms (n = 4) and CH(A 2 Δ) radicals were produced from these five-membered heterocycles via single collision excitations, while CS(A 1 PI) radicals from thiophene and tetrahydrothiophene were partly formed in secondary processes. The appearance potentials for the hydrogen Balmer β and the CH(A 2 Δ-X 2 PI) bands from these five-membered heterocycles are determined, and the dissociation processes forming H(n = 4) and CH(A) are discussed. (author)

  13. Direct no-carrier-added {sup 18}F-labelling of arenes via nucleophilic substitution on aryl(2-thienyl)iodonium salts

    Energy Technology Data Exchange (ETDEWEB)

    Ross, T L

    2006-01-15

    For in vivo imaging of molecular processes via positron emission tomography (PET) radiotracers of high specific activity are demanded. In case of the most commonly used positron emitter fluorine-18, this is only achievable with no-carrier-added [{sup 18}F]fluoride, which implies nucleophilic methods of {sup 18}F-substitution. Whereas electron deficient aromatic groups can be labelled in one step using no-carrier-added [{sup 18}F]fluoride, electron rich {sup 18}F-labelled aromatic molecules are only available by multi-step radiosyntheses or carrier-added electrophilic reactions. Here, diaryliodonium salts represent an alternative, since they have been proven as potent precursor for a direct nucleophilic {sup 18}F-introduction into aromatic molecules. Furthermore, as known from non-radioactive studies, the highly electron rich 2-thienyliodonium leaving group leads to a high regioselectivity in nucleophilic substitution reactions. Consequently, a direct nucleophilic no-carrier-added {sup 18}F-labelling of electron rich arenes via aryl(2-thienyl)iodonium precursors was developed in this work. The applicability of direct nucleophilic {sup 18}F-labelling was examined in a systematic study on eighteen aryl(2-thienyl)iodonium salts. As electron rich precursors the ortho-, meta- and para-methoxyphenyl(2-thienyl)iodonium bromides, iodides, tosylates and triflates were synthesised. In addition, para-substituted (R=BnO, CH{sub 3}, H, Cl, Br, I) aryl(2-thienyl)iodonium bromides were prepared as precursors with a systematically varying electron density. As first approach, the general reaction conditions of the nucleophilic {sup 18}F-substitution procedure were optimised. The best conditions for direct nucleophilic no-carrier-added {sup 18}F-labelling via aryl(2-thienyl)iodonium salts were found with dimethylformamide as solvent, a reaction temperature of 130{+-}3 C and 25 mmol/l as concentration of the precursor. (orig.)

  14. High Yields of Hydrogen Production Induced by Meta-Substituted Dichlorophenols Biodegradation from the Green Alga Scenedesmus obliquus

    Science.gov (United States)

    Papazi, Aikaterini; Andronis, Efthimios; Ioannidis, Nikolaos E.; Chaniotakis, Nikolaos; Kotzabasis, Kiriakos

    2012-01-01

    Hydrogen is a highly promising energy source with important social and economic implications. The ability of green algae to produce photosynthetic hydrogen under anaerobic conditions has been known for years. However, until today the yield of production has been very low, limiting an industrial scale use. In the present paper, 73 years after the first report on H2-production from green algae, we present a combinational biological system where the biodegradation procedure of one meta-substituted dichlorophenol (m-dcp) is the key element for maintaining continuous and high rate H2-production (>100 times higher than previously reported) in chloroplasts and mitochondria of the green alga Scenedesmus obliquus. In particular, we report that reduced m-dcps (biodegradation intermediates) mimic endogenous electron and proton carriers in chloroplasts and mitochondria, inhibit Photosystem II (PSII) activity (and therefore O2 production) and enhance Photosystem I (PSI) and hydrogenase activity. In addition, we show that there are some indications for hydrogen production from sources other than chloroplasts in Scenedesmus obliquus. The regulation of these multistage and highly evolved redox pathways leads to high yields of hydrogen production and paves the way for an efficient application to industrial scale use, utilizing simple energy sources and one meta-substituted dichlorophenol as regulating elements. PMID:23145057

  15. The effect of Ce ion substituted OMS-2 nanostructure in catalytic activity for benzene oxidation

    Science.gov (United States)

    Hou, Jingtao; Li, Yuanzhi; Mao, Mingyang; Zhao, Xiujian; Yue, Yuanzheng

    2014-11-01

    The nanostructure of Ce doped OMS-2 plays a very important role in its catalytic property. We demonstrate by density functional theory (DFT) calculations that the unique nanostructure of the Ce ion substituted OMS-2 with Mn vacancy in the framework is beneficial for the improvement of catalytic activity, while the nanostructure of the Ce ion substituted OMS-2 without defects are detrimental to the catalytic activity. We establish a novel and facile strategy of synthesizing these unique Ce ion substituted OMS-2 nanostructure with Mn vacancies in the framework by hydrothermal redox reaction between Ce(NO3)3 and KMnO4 with KMnO4/Ce(NO3)3 at a molar ratio of 3 : 1 at 120 °C. Compared to pure OMS-2, the produced catalyst of Ce ion substituted OMS-2 ultrathin nanorods exhibits an enormous enhancement in the catalytic activity for benzene oxidation, which is evidenced by a significant decrease (ΔT50 = 100 °C, ΔT90 = 129 °C) in the reaction temperature of T50 and T90 (corresponding to the benzene conversion = 50% and 90%), which is considerably more efficient than the expensive supported noble metal catalyst (Pt/Al2O3). We combine both theoretical and experimental evidence to provide a new physical insight into the significant effect due to the defects induced by the Ce ion substitution on the catalytic activity of OMS-2. The formation of unique Ce ion substituted OMS-2 nanostructure with Mn vacancies in the framework leads to a significant enhancement of the lattice oxygen activity, thus tremendously increasing the catalytic activity.The nanostructure of Ce doped OMS-2 plays a very important role in its catalytic property. We demonstrate by density functional theory (DFT) calculations that the unique nanostructure of the Ce ion substituted OMS-2 with Mn vacancy in the framework is beneficial for the improvement of catalytic activity, while the nanostructure of the Ce ion substituted OMS-2 without defects are detrimental to the catalytic activity. We establish a novel

  16. Synthesis and pharmacological evaluation of N-substituted 2-(2-oxo-2H-chromen-4-yloxy)propanamide as cyclooxygenase inhibitors.

    Science.gov (United States)

    Rambabu, D; Mulakayala, Naveen; Ismail; Kumar, K Ravi; Kumar, G Pavan; Mulakayala, Chaitanya; Kumar, Chitta Suresh; Kalle, Arunasree M; Rao, M V Basaveswara; Oruganti, Srinivas; Pal, Manojit

    2012-11-01

    A series of novel N-substituted 2-(2-oxo-2H-chromen-4-yloxy)propanamide derivatives were synthesized via converting the readily available 4-hydroxy coumarin to the corresponding ethyl 2-(2-oxo-2H-chromen-4-yloxy)propanoate followed by hydrolysis and then reacting with different substituted amines. The molecular structures of two representative compounds, that is, 3 and 5l were confirmed by single crystal X-ray diffraction study. All the compounds synthesized were evaluated for their cyclooxygenase (COX) inhibiting properties in vitro. The compound 5i showed balanced selectivity towards COX-2 over COX-1 inhibition and good docking scores when docked into the COX-2 protein. Copyright © 2012 Elsevier Ltd. All rights reserved.

  17. Efficient continuous-flow synthesis of novel 1,2,3-triazole-substituted β-aminocyclohexanecarboxylic acid derivatives with gram-scale production

    Directory of Open Access Journals (Sweden)

    Sándor B. Ötvös

    2013-07-01

    Full Text Available The preparation of novel multi-substituted 1,2,3-triazole-modified β-aminocyclohexanecarboxylic acid derivatives in a simple and efficient continuous-flow procedure is reported. The 1,3-dipolar cycloaddition reactions were performed with copper powder as a readily accessible Cu(I source. Initially, high reaction rates were achieved under high-pressure/high-temperature conditions. Subsequently, the reaction temperature was lowered to room temperature by the joint use of both basic and acidic additives to improve the safety of the synthesis, as azides were to be handled as unstable reactants. Scale-up experiments were also performed, which led to the achievement of gram-scale production in a safe and straightforward way. The obtained 1,2,3-triazole-substituted β-aminocyclohexanecarboxylates can be regarded as interesting precursors for drugs with possible biological effects.

  18. LDRD final report on "Pumping up CO2 and conversion into useful molecules" (LDRD 105932).

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Richard Alan; Stewart, Constantine A.; Dickie, Diane A. (University of New Mexico, Albuquerque, NM)

    2009-11-01

    Group 12 metal cyclam complexes and their derivatives as well as (octyl){sub 2}Sn(OMe){sub 2} were examined as potential catalysts for the production of dimethyl carbonate (DMC) using CO{sub 2} and methanol. The zinc cyclams will readily take up carbon dioxide and methanol at room temperature and atmospheric pressure to give the metal methyl carbonate. The tin exhibited an improvement in DMC yields. Studies involving the reaction of bis-phosphino- and (phosphino)(silyl)-amido group 2 and 12 complexes with CO{sub 2} and CS{sub 2} were performed. Notable results include formation of phosphino-substituted isocyanates, fixation of three moles of CO{sub 2} in an unprecedented [N(CO{sub 2}){sub 3}]{sup 3-} anion, and rapid splitting of CS{sub 2} by main group elements under extremely mild conditions. Similar investigations of divalent group 14 silyl amides led to room temperature splitting of CO{sub 2} into CO and metal oxide clusters, and the formation of isocyanates and carbodiimides.

  19. Identification of ortho-Substituted Benzoic Acid/Ester Derivatives via the Gas-Phase Neighboring Group Participation Effect in (+)-ESI High Resolution Mass Spectrometry.

    Science.gov (United States)

    Blincoe, William D; Rodriguez-Granillo, Agustina; Saurí, Josep; Pierson, Nicholas A; Joyce, Leo A; Mangion, Ian; Sheng, Huaming

    2018-04-01

    Benzoic acid/ester/amide derivatives are common moieties in pharmaceutical compounds and present a challenge in positional isomer identification by traditional tandem mass spectrometric analysis. A method is presented for exploiting the gas-phase neighboring group participation (NGP) effect to differentiate ortho-substituted benzoic acid/ester derivatives with high resolution mass spectrometry (HRMS 1 ). Significant water/alcohol loss (>30% abundance in MS 1 spectra) was observed for ortho-substituted nucleophilic groups; these fragment peaks are not observable for the corresponding para and meta-substituted analogs. Experiments were also extended to the analysis of two intermediates in the synthesis of suvorexant (Belsomra) with additional analysis conducted with nuclear magnetic resonance (NMR), density functional theory (DFT), and ion mobility spectrometry-mass spectrometry (IMS-MS) studies. Significant water/alcohol loss was also observed for 1-substituted 1, 2, 3-triazoles but not for the isomeric 2-substituted 1, 2, 3-triazole analogs. IMS-MS, NMR, and DFT studies were conducted to show that the preferred orientation of the 2-substituted triazole rotamer was away from the electrophilic center of the reaction, whereas the 1-subtituted triazole was oriented in close proximity to the center. Abundance of NGP product was determined to be a product of three factors: (1) proton affinity of the nucleophilic group; (2) steric impact of the nucleophile; and (3) proximity of the nucleophile to carboxylic acid/ester functional groups. Graphical Abstract ᅟ.

  20. Monitoring of praseodymium(III) ions in aqueous solutions, soil and sediment samples by a PVC membrane sensor based on a furan-triazole derivative

    Energy Technology Data Exchange (ETDEWEB)

    Pourjavid, Mohammad Reza [Islamic Azad University, Tehran (Iran, Islamic Republic of). Dept. of Medicinal Chemistry. Nuclear Science and Technology Research Institute; Rezaee, Mohammad; Hosseini, Majid Haji [Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Razavi, Taherehsadat, E-mail: pourjavid@gmail.com [Research Institute of Petroleum Industry, Tehran (Iran, Islamic Republic of). Instrumental Analysis Dept.

    2012-07-01

    A furan-triazole derivative has been explored as an ionophore for preparation of a highly selective Pr(III) membrane sensor. The proposed sensor exhibits a Nernstian response for Pr(III) activity over a wide concentration range with a detection limit of 5.2 x 10{sup -8}M. Its response is independent of pH of the solution in the range 3.0-8.8 and offers the advantages of fast response time. To investigate the analytical applicability of the sensor, it was applied successfully as an indicator electrode in potentiometric titration of Pr(III) solution and also in the direct and indirect determination of trace Pr(III) ions in some samples. (author)

  1. Synthesis, Spectral and Antimicrobial Studies of Some N(2)-Substituted Tetrahydroindazoles

    International Nuclear Information System (INIS)

    Amirthaganesan, Shanmugasundaram; Aridoss, Gopalakrishnan; Park, Keun Soo; Lim, Kwon Taek; Jeong, Yeon Tae

    2010-01-01

    A series of N(2)-benzothiazolyl substituted tetrahydroindazoles has been synthesized via cyclic β keto esters. Optimum reaction condition was found as acidic toluene and effect of higher acidity towards substituted hydrazines in situ was described. Synthesized compounds have been achieved as single isomer and characterized by using 1D and 2D NMR spectral reports. Antimicrobial screening was carried out for the synthesized compounds along with a series of N(2)-pyridyl tetrahydroindazoles. 1 The results of the in vitro antimicrobial screening studies revealed that compounds 13, 16 against Staphylococcus aureus, 11 against Escherichia coli, 10-12, 16 against Pseudomonas aeruginosa and 12 against Klebsiella pneumoniae recorded almost two-fold better activity compared to the standard drug used

  2. Experimental thermochemical study of the three methyl substituted 2-acetylthiophene isomers

    International Nuclear Information System (INIS)

    Ribeiro da Silva, Manuel A.V.; Santos, Ana Filipa L.O.M.

    2008-01-01

    A rotating-bomb combustion calorimeter was used to determine the standard (p 0 = 0.1 MPa) molar enthalpies of combustion, Δ c H m 0 , of the liquids 2-acetyl-3-methylthiophene, 2-acetyl-4-methylthiophene, and 2-acetyl-5-methylthiophene, from which the standard molar enthalpies of formation, Δ f H m 0 , in the liquid phase, at the temperature of 298.15 K, were derived. The standard molar enthalpies of vaporization, Δ l g H m 0 , at T = 298.15 K, for those compounds, were obtained by high temperature Calvet microcalorimetry. From the experimental results, the standard molar enthalpies of formation of the three methyl substituted 2-acetylthiophene isomers, in the gaseous phase, were calculated and a comparison between the relative stability and the energetic of the three isomers was carried out

  3. Tuning the Magnetic Properties and Structural Stabilities of the 2-17-3 Magnets Sm2Fe17X3 (X =C , N) by Substituting La or Ce for Sm

    Science.gov (United States)

    Pandey, Tribhuwan; Du, Mao-Hua; Parker, David S.

    2018-03-01

    Designing a permanent magnet with reduced critical rare-earth content is of paramount importance in the development of cost-effective modern technologies. By performing comprehensive first-principles calculations, we investigate the potential avenues for reducing the critical rare-earth content in Sm2Fe17N3 and Sm2Fe17C3 by making a La or Ce substitution for Sm. The calculated magnetic properties of base compounds are in good agreement with the previous low-temperature (4.2-K) experimental measurements, and they show a large axial anisotropy. Although La or Ce substitution results in a slight reduction of magnetic anisotropy, the magnetic moments of Fe atoms mostly remain unchanged. Specifically, large axial anisotropies of 7.2 and 4.1 MJ /m3 are obtained for SmCeFe17 N3 and SmLaFe17 N3 , respectively. These values of anisotropies are comparable to the state-of-the-art permanent magnet Nd2 Fe14 B . The foremost limitation of Sm2 Fe17X3 magnets for practical application is the formation nitrogen or carbon vacancies at high temperatures. By calculating the N- (C)- vacancy formation energy, we show that La or Ce substitution enhances the vacancy formation energy. This enhanced vacancy formation energy will likely improve the thermodynamic stability of these alloys at high temperatures. Therefore, La- or Ce-substituted Sm2Fe17C3 and Sm2Fe17N3 compounds are promising candidates for high-performance permanent magnets with substantially reduced rare-earth content.

  4. Synthesis and Anticancer Activity of Novel Thiazole-5-Carboxamide Derivatives

    Directory of Open Access Journals (Sweden)

    Wen-Xi Cai

    2016-01-01

    Full Text Available A series of novel 2-phenyl-4-trifluoromethyl thiazole-5-carboxamide derivatives have been synthesized and evaluated for their anticancer activity against A-549, Bel7402, and HCT-8 cell lines. Among the tested compounds, highest activity (48% was achieved with the 4-chloro-2-methylphenyl amido substituted thiazole containing the 2-chlorophenyl group on the two position of the heterocyclic ring. Other structurally similar compounds displayed moderate activity. The key intermediates have been fully characterized.

  5. Phenolic Acids, Phenolic Aldehydes and Furanic Derivatives in Oak Chips: American vs. French Oaks

    OpenAIRE

    Cabrita, M.J.; Barrocas Dias, C.; Costa Freitas, A.M.

    2011-01-01

    Phenolic acids (gallic, vanillic, syringic and ellagic acids), phenolic aldehydes (vanillin, syringaldehyde, coniferaldehyde and sinapaldehyde) and furanic derivatives (furfural, 5-methylfurfural and 5-hydroxymethylfurfural) were quantified in commercial American and French oak chips. Chips with different sizes and toast degrees were used. Compounds were extracted directly from the wood samples in order to determine possible differences among woods as well as toast degree. Likewise, the compo...

  6. Lipase-catalyzed asymmetric synthesis of naphtho[2,3-c]furan-1(3H)-one derivatives by a one-pot dynamic kinetic resolution/intramolecular Diels-Alder reaction: Total synthesis of (-)-himbacine.

    Science.gov (United States)

    Sugiyama, Koji; Kawanishi, Shinji; Oki, Yasuhiro; Kamiya, Marin; Hanada, Ryosuke; Egi, Masahiro; Akai, Shuji

    2018-04-01

    One-pot sequential reactions using the acyl moieties installed by enzymatic dynamic kinetic resolution of alcohols have been little investigated. In this work, the acryloyl moiety installed via the lipase/oxovanadium combo-catalyzed dynamic kinetic resolution of a racemic dienol [4-(cyclohex-1-en-1-yl)but-3-en-2-ol or 1-(cyclohex-1-en-1-yl)but-2-en-1-ol] with a (Z)-3-(phenylsulfonyl)acrylate underwent an intramolecular Diels-Alder reaction in a one-pot procedure to produce an optically active naphtho[2,3-c]furan-1(3H)-one derivative (98% ee). This method was successfully applied to the asymmetric total synthesis of (-)-himbacine. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. CHLOROBENZENES, CHLOROPHENOLS, PAHS AND LOW CHLORINATED DIOXIN/FURAN AS POST-BOILER TOXICITY INDICATORS IN MUNICIPAL SOLID WASTE INCINERATORS

    Science.gov (United States)

    Numerous research studies have been conducted to establish indicator compounds for fast and less costly predictive monitoring of polychlorinated dibenzo-p-dioxin and furan (PCDD/F) toxic equivalent concentrations (TEQs). Many studies have shown that chlorobenzenes and chlorophen...

  8. Approaches for introducing high molecular diversity in scaffolds: fast parallel synthesis of highly substituted 1H-quinolin-4-one libraries.

    Science.gov (United States)

    Kuznetsov, Vladimir; Gorohovsky, Sofia; Levy, Amalia; Meir, Simcha; Shkoulev, Vladimir; Menashe, Naim; Greenwald, Moshe; Aizikovich, Alexander; Ofer, Dror; Byk, Gerardo; Gellerman, Garry

    2004-01-01

    We have developed a two steps strategy for the parallel synthesis of highly diversified quinolin-ones. In the first step we have combined and improved different synthetic methods for generating quinolin-4-ones bearing four different substitutions at specific positions using round bottomed flasks. The synthesis was assessed for a large number of substituted quinolin-4-ones. In the second step, the improved method was adapted to a parallel array synthesis using a 12 positions carrousel as demonstrated for the synthesis of 42-variable quinolin-4-ones. The first combinatorial library set 14(a-x) was obtained with a chemical purity of more than 95% without purification, the second library set 15(a-r), which included two synthetic steps, needed combinatorial purification using an innovative parallel purifier. The proposed approach contributes to a more extensive diversification of molecular scaffolds in general and provides access to highly substituted quinolinones in particular.

  9. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Science.gov (United States)

    2010-07-01

    ... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

  10. Catalytic Hydrodeoxygenation of High Carbon Furylmethanes to Renewable Jet-fuel Ranged Alkanes over a Rhenium-Modified Iridium Catalyst.

    Science.gov (United States)

    Liu, Sibao; Dutta, Saikat; Zheng, Weiqing; Gould, Nicholas S; Cheng, Ziwei; Xu, Bingjun; Saha, Basudeb; Vlachos, Dionisios G

    2017-08-24

    Renewable jet-fuel-range alkanes are synthesized by hydrodeoxygenation of lignocellulose-derived high-carbon furylmethanes over ReO x -modified Ir/SiO 2 catalysts under mild reaction conditions. Ir-ReO x /SiO 2 with a Re/Ir molar ratio of 2:1 exhibits the best performance, achieving a combined alkanes yield of 82-99 % from C 12 -C 15 furylmethanes. The catalyst can be regenerated in three consecutive cycles with only about 12 % loss in the combined alkanes yield. Mechanistically, the furan moieties of furylmethanes undergo simultaneous ring saturation and ring opening to form a mixture of complex oxygenates consisting of saturated furan rings, mono-keto groups, and mono-hydroxy groups. Then, these oxygenates undergo a cascade of hydrogenolysis reactions to alkanes. The high activity of Ir-ReO x /SiO 2 arises from a synergy between Ir and ReO x , whereby the acidic sites of partially reduced ReO x activate the C-O bonds of the saturated furans and alcoholic groups while the Ir sites are responsible for hydrogenation with H 2 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Enzymic resolution of 2-substituted cyclohexanols through lipase-mediated esterification

    Czech Academy of Sciences Publication Activity Database

    Wimmer, Zdeněk; Skouridou, V.; Zarevúcka, Marie; Šaman, David; Kolisis, F. N.

    2004-01-01

    Roč. 15, - (2004), s. 3911-3917 ISSN 0957-4166 R&D Projects: GA MŠk ME 692 Institutional research plan: CEZ:AV0Z4055905 Keywords : enzymic resolution * 2-substituted cyclohexanols * lipase -mediated esterification Subject RIV: CC - Organic Chemistry Impact factor: 2.386, year: 2004

  12. Influences of Ti4+ and Mg2+ substitutions on the properties of lithium ferrites

    International Nuclear Information System (INIS)

    Su Hua; Zhang Huaiwu; Tang Xiaoli; Liu Baoyuan

    2009-01-01

    The Ti 4+ and Mg 2+ co-substituted lithium ferrites with different compositions of Zn 0.1 Li 0.45 Mn 0.1 Fe 2.35-2x (TiMg) x O 4 (x=0.0-0.5) were prepared by the ceramic standard processing. The magnetic properties and microstructure of the samples were investigated. A single phase spinel structure was confirmed by XRD in substituting range. Sintering densities continuously decreased with the increase at x value, which was attributed to the fact that the heavier Fe 3+ ions were replaced by the relatively lighter Ti 4+ and Mg 2+ ions. However, relative density of the samples had no obvious relationship with the substituting value. Saturation magnetization continuously decreased with x value, which was attributed to the decrease of resultant magnetic moment between A and B sub-lattice. Remanence decreased monotonously with x value due to the decrease of saturation magnetization and magnetocrystalline anisotropy constant. But the effect of Ti 4+ and Mg 2+ substitutions on the Br/Bs ratio values was not obvious. Coercive force was mainly determined by the microstructure and magnetocrystalline anisotropy constant of the ferrites. In this research, with the increase of Ti 4+ and Mg 2+ substitutions, the advantageous influence by the decrease of magnetocrystalline anisotropy constant was more significant than the disadvantageous influence caused by the increase of closed pores. As a result, coercive force of the ferrites also decreased monotonously with the increase at x value.

  13. Investigation of structural and electrical properties of vanadium substituted disordered pyrochlore-type Ho{sub 2−x}V{sub x}Zr{sub 2}O{sub 7} nanostructure

    Energy Technology Data Exchange (ETDEWEB)

    Karamat, Nazia, E-mail: naziakaramatgoraya@yahoo.com [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Ashiq, Muhammad Naeem, E-mail: naeemashiqqau@yahoo.com [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Najam-ul-Haq, Muhammad [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Ali, Irshad; Iqbal, M. Asif; Irfan, Muhammad [Department of Physics, Bahauddin Zakariya University, Multan (Pakistan); Abbas, Yasir; Athar, Muhammad [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan)

    2014-04-01

    Graphical abstract: - Highlights: • Normal microemulsion method has been used for the synthesis of zirconates nanomaterials. • Structure shifted towards highly disordered pyrochlore state with substitution. • The electrical resistivity increase with the vanadium content. • The dielectric constant show resonance behavior. • The synthesized materials are suitable for microwave devices. - Abstract: Disordered pyrochlore system with composition Ho{sub 2−x}V{sub x}Zr{sub 2}O{sub 7} (where x = 0, 0.25, 0.50, 0.75 and 1) has been synthesized by the normal microemulsion route to examine the effect of vanadium substitution on structural and electrical properties. The prepared compounds are characterized by several techniques including X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, energy dispersive X-ray fluorescence (ED-XRF), energy dispersive spectra (EDS), scanning electron microscopy (SEM), temperature dependent electrical and frequency dependent dielectric measurements. The XRD analysis confirms the formation of disordered pyrochlore phase with crystallite size 7–30 nm while a second phase is also observed in the highly substituted materials. The increase in resistivity is attributed to the removal of low energy pathway due to cation disordering. The dielectric constant decreases due to lowering of dipole moment with substitution and its resonance behavior shifted toward higher frequencies. The electrical and dielectric measurements suggest that materials are suitable for high frequency electronic devices, such as oscillators, resonators and frequency filters.

  14. Synthesis and Antimicrobial Activity of Novel Substituted Ethyl 2-(Quinolin-4-yl-propanoates

    Directory of Open Access Journals (Sweden)

    Yong Zhou

    2013-03-01

    Full Text Available Substituted 4-hydroxyquinolines were synthesized from anilines and diethyl 2-(ethoxymethylenemalonate by the Gould-Jacobs reaction via cyclization of the intermediate anilinomethylenemalonate followed by hydrolysis and decarboxylation. The 4-hydroxyquinolines reacted with phosphorous oxychloride to form 4-chloroquinolines, which reacted on heating with diethyl sodiomethylmalonate in DMF to yield moderate yields of substituted ethyl 2-(quinolin-4-ylpropanoates, many of which showed potent antimicrobial activity against Helicobacter pylori.

  15. Pretreatment of various feedstocks for lactic acid production: detection of sugars, organic acids and furanics in liquid fractions

    NARCIS (Netherlands)

    Harmsen, P.F.H.; Lips, S.J.J.; Bakker, R.R.C.

    2012-01-01

    Barley straw, sugarcane bagasse and empty fruit bunches were pretreated under acid- and alkaline conditions. Solid phase was separated from the liquid phase and the concentration of dissolved monomeric sugars, organic acids and furanics was determined. Acid hydrolysis yielded monomeric xylose

  16. Drastic effect of the Mn-substitution in the strongly correlated semiconductor FeSb2.

    Science.gov (United States)

    Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

    2017-06-01

    We report the effects of Mn substitution, corresponding to hole doping, on the electronic properties of the narrow gap semiconductor, FeSb2, using single crystals of Fe1- x Mn x Sb2 grown by the Sb flux method. The orthorhombic Pnnm structure was confirmed by powder X-ray diffraction (XRD) for the pure and Mn-substituted samples. Their crystal structure parameters were refined using the Rietveld method. The chemical composition was investigated by wavelength-dispersive X-ray spectroscopy (WDX). The solubility limit of Mn in FeSb2 is x max ˜ 0.05 and the lattice constants change monotonically with increasing the actual Mn concentration. A drastic change from semiconducting to metallic electronic transports was found at very low Mn concentration at x ˜ 0.01. Our experimental results and analysis indicate that the substitution of a small amount of Mn changes drastically the electronic state in FeSb2 as well as the Co-substitution does: closing of the narrow gap and emergence of the density of states (DOS) at the Fermi level.

  17. Low-temperature CVD of iron, cobalt, and nickel nitride thin films from bis[di(tert-butyl)amido]metal(II) precursors and ammonia

    International Nuclear Information System (INIS)

    Cloud, Andrew N.; Abelson, John R.; Davis, Luke M.; Girolami, Gregory S.

    2014-01-01

    Thin films of late transition metal nitrides (where the metal is iron, cobalt, or nickel) are grown by low-pressure metalorganic chemical vapor deposition from bis[di(tert-butyl)amido]metal(II) precursors and ammonia. These metal nitrides are known to have useful mechanical and magnetic properties, but there are few thin film growth techniques to produce them based on a single precursor family. The authors report the deposition of metal nitride thin films below 300 °C from three recently synthesized M[N(t-Bu) 2 ] 2 precursors, where M = Fe, Co, and Ni, with growth onset as low as room temperature. Metal-rich phases are obtained with constant nitrogen content from growth onset to 200 °C over a range of feedstock partial pressures. Carbon contamination in the films is minimal for iron and cobalt nitride, but similar to the nitrogen concentration for nickel nitride. X-ray photoelectron spectroscopy indicates that the incorporated nitrogen is present as metal nitride, even for films grown at the reaction onset temperature. Deposition rates of up to 18 nm/min are observed. The film morphologies, growth rates, and compositions are consistent with a gas-phase transamination reaction that produces precursor species with high sticking coefficients and low surface mobilities

  18. DIBENZO-P-DIOXINS IN THE ENVIRONMENT FROM CERAMICS AND POTTERY PRODUCED FROM BALL CLAY MINED IN THE U.S.

    Science.gov (United States)

    Processed ball clay samples used in the production of ceramics and samples of the ceramic products were collected and analyzed for the presence and concentration of the 2,3,7,8-Cl substituted polychlorinated dibenzo-p-dioxins and furans (PCDDs/PCDFs). The processed ball clay had...

  19. Preliminary Research on Granulation Process of Dust Waste from Reclamation Process of Moulding Sands with Furan Resin

    Directory of Open Access Journals (Sweden)

    Kamińska J.

    2012-09-01

    Full Text Available The results of investigations of the granulation process of foundry dusts generated in the dry mechanical reclamation process of used sands, where furan resins were binders are presented in the paper. Investigations concerned producing of granules of the determined dimensions and strength parameters.

  20. Estudo do comportamento de compostos de PVC com adição de amido Study of the behavior of PVC compounds with added starch

    Directory of Open Access Journals (Sweden)

    Lisandra Abatti

    2011-01-01

    Full Text Available Este trabalho apresenta o estudo do comportamento de compostos de PVC com adição de amido para aplicação especialmente na indústria calçadista. As propriedades mecânicas dos compostos nas proporções de 5, 7,5 e 10% foram estudadas através de ensaios de tração. Também foram verificados os índices de fluidez, alterações de propriedades quando submetidos ao envelhecimento artificial em estufa e natural ao expor às intempéries e enterrar no solo. A viabilidade da aplicação na indústria calçadista foi feita por injeção em gáspeas e tiras de sandálias, com testes de resistência, flexão e testes de campo. Os resultados demonstraram que o acréscimo de amido ao PVC provoca perda nas propriedades mecânicas, justificado pela baixa resistência mecânica do amido em relação ao PVC. Após envelhecimento em estufa o processo de retrogradação do amido deixa os compostos mais rígidos e com menor fluidez. Quando expostos às intempéries e ao solo, o PVC pode ser degradado com perda de HCl, o que leva à acidificação do solo. Nas aplicações em calçados e sandálias a resistência mecânica não atende aos requisitos do mercado. Apesar do baixo custo, o fraco comportamento mecânico dificulta sua viabilização para substituição em escala.This paper deals with the behavior of PVC compounds with addition of starch for applications, especially in the footwear industry. The mechanical properties of the compounds in the proportions of 5, 7.5 and 10% were studied using tensile tests. Also investigated were the flow rates, in addition to changes in properties when the material was subjected to artificial aging in an oven and exposed to natural weather and buried in the soil. The feasibility of application in the industry was evaluated with tests of endurance, strength and field tests in injection uppers and straps of sandals. The results showed that the addition of starch to PVC causes loss of mechanical properties, owing to

  1. Synthesis of Zn{sup 2+} substituted maghemite nanoparticles and investigation of their structural and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Mozaffari, M. [Department of Physics, Faculty of Science, University of Isfahan, Isfahan 81746-73441 (Iran, Islamic Republic of); Shatooti, S. [Department of Physics, Razi University, Kermanshah 67149-67346 (Iran, Islamic Republic of); Jafarzadeh, M., E-mail: mjafarzadeh1027@yahoo.com [Faculty of Chemistry, Razi University, Kermanshah 67149-67346 (Iran, Islamic Republic of); Niyaifar, M. [Department of Physics, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Aftabi, A. [Department of Physics, University of Kurdistan, Sanandaj 66177-15175 (Iran, Islamic Republic of); Mohammadpour, H. [Department of Physics, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Amiri, Sh. [Department of Physics, Razi University, Kermanshah 67149-67346 (Iran, Islamic Republic of)

    2015-05-15

    Maghemite and Zn{sup 2+} substituted maghemite (γ-Fe{sub 2−y} Zn{sub 3y/2}O{sub 3}, y=0.0, 0.11, 0.24, 0.36, 0.50 and 0.66) nanoparticles were prepared by coprecipitation method. The effect of Zn{sup 2+} substitution on the structural, morphological and magnetic properties of the nanoparitcles were studied by different techniques such as X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), magnetometry, magnetic thermogravimetry and Mössbauer spectroscopy. The results of XRD showed that all samples have spinel structure with an increase in lattice parameter by increasing the content of Zn{sup 2+}. FTIR spectra were proved the synthesis of maghemite and Zn{sup 2+} substituted maghemite with appearance of the related absorption bands and band shift upon Zn{sup 2+} substitution. Morphological studies by FESEM demonstrated that the nanoparticles were uniform and spherical with average particle size in range of 20–24 nm. Room temperature magnetic measurements showed that as Zn{sup 2+} content increases, saturation magnetization initially increase up to 75.34 emu/g for y=0.11 and then decrease to 3.65 emu/g for y=0.66, due to substitution of magnetic Fe{sup 3+} by non-magnetic Zn{sup 2+}. Decrease in Curie temperature of the samples, from 510 for maghemite to 250 °C for y=0.36, by increasing the Zn{sup 2+} substitution was a result of reduction of superexchange interactions between different sites. Then, the Curie temperature increased up to 680 °C for y=0.66 which was due to migration of some Zn{sup 2+} ions from A to B sites in the structure of spinel. Room temperature Mössbauer spectra exhibited that the sample with y=0.0 was superparamagnetic, while by increasing the content of Zn{sup 2+}, relaxation effect increased by weakening of A–B exchange interaction. - Highlights: • Synthesis of Zn{sup 2+}-substituted maghemite via co-precipitation/oxidation method. • Increase in lattice

  2. Investigation of the fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by certain substituted uracils

    Energy Technology Data Exchange (ETDEWEB)

    Anbazhagan, V. [School of Chemistry, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India); Renganathan, R. [School of Chemistry, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India)], E-mail: rrengas@yahoo.com

    2009-04-15

    The fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by a series of uracils has been studied in water and acetonitrile solvents using steady-state and time-resolved fluorescence techniques. The steady-state fluorescence quenching technique has been performed in three different pHs (i.e. 4, 8 and 12). The bimolecular quenching rate constant (k{sub q}) increases with increase in pH of uracils. In acidic pH, a pure hydrogen atom abstraction is proposed as the quenching mechanism. This is supported by a pronounced solvent deuterium isotope effect. Electron transfer from the anionic form of uracil to the excited state of DBO is proposed as a mechanism for quenching in basic pH on the basis of highly exergonic thermodynamics obtained from the Rehm-Weller equation. The variation of k{sub q} is explained on the basis of the electronic effect of substitution in uracils as well.

  3. Investigation of the fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by certain substituted uracils

    International Nuclear Information System (INIS)

    Anbazhagan, V.; Renganathan, R.

    2009-01-01

    The fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by a series of uracils has been studied in water and acetonitrile solvents using steady-state and time-resolved fluorescence techniques. The steady-state fluorescence quenching technique has been performed in three different pHs (i.e. 4, 8 and 12). The bimolecular quenching rate constant (k q ) increases with increase in pH of uracils. In acidic pH, a pure hydrogen atom abstraction is proposed as the quenching mechanism. This is supported by a pronounced solvent deuterium isotope effect. Electron transfer from the anionic form of uracil to the excited state of DBO is proposed as a mechanism for quenching in basic pH on the basis of highly exergonic thermodynamics obtained from the Rehm-Weller equation. The variation of k q is explained on the basis of the electronic effect of substitution in uracils as well

  4. Stereoselective synthesis of novel highly substituted isochromanone and isoquinolinone-containing exocyclic tetrasubstituted alkenes.

    Science.gov (United States)

    Arthuis, Martin; Pontikis, Renée; Florent, Jean-Claude

    2009-03-06

    An efficient synthetic route toward the synthesis of highly substituted arylethylidene-isoquinolinones/isochromanones is reported. The tandem carbopalladation/Suzuki-Miyaura coupling sequence stereoselectively provided various functionalized polycyclic compounds in moderate to excellent yields.

  5. The Development of Novel Near-Infrared (NIR Tetraarylazadipyrromethene Fluorescent Dyes

    Directory of Open Access Journals (Sweden)

    Young-Tae Chang

    2013-05-01

    Full Text Available Novel structures of an near-infrared (NIR tetraarylazadipyrromethene (aza-BODIPY series have been prepared. We designed the core structure containing two amido groups at the para-position of the aromatic rings. The amido group was incorporated to secure insensitivity to pH and to ensure a bathochromic shift to the NIR region. Forty members of aza-BODIPY compounds were synthesized by substitution of the acetyl group with commercial amines on the alpha bromide. The physicochemical properties and photostability were investigated and the fluorescence emission maxima (745~755 nm were found to be in the near infrared (NIR range of fluorescence.

  6. Desenvolvimento e caracterização de filmes biodegradáveis obtidos de amido e de farinha de arroz

    OpenAIRE

    Dias, Amanda Borba

    2008-01-01

    Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro Tecnológico. Programa de Pós-Graduação em Engenharia de Alimentos. O desenvolvimento de polímeros biodegradáveis a partir de recursos renováveis, tem se apresentado como uma alternativa para a redução do impacto ambiental provocado pelos polímeros derivados do petróleo. O arroz é um cereal encontrado em larga escala no sul do Brasil. Poucos trabalhos na literatura citam a produção de filmes a partir de amido de arroz e...

  7. Crystal structure, DNA binding, cleavage, antioxidant and antibacterial studies of Cu(II), Ni(II) and Co(III) complexes with 2-((furan-2-yl)methylimino)methyl)-6-ethoxyphenol Schiff base

    Science.gov (United States)

    Venkateswarlu, Kadtala; Kumar, Marri Pradeep; Rambabu, Aveli; Vamsikrishna, Narendrula; Daravath, Sreenu; Rangan, Krishnan; Shivaraj

    2018-05-01

    Three novel binary metal complexes; 1 [Cu(L)2], 2 [Ni(L)2] and 3 [Co(L)3] where, L (2-(((furan-2-yl) methylimino)methyl)-6-ethoxyphenol, C14H15NO3), were synthesized and characterized by various spectral techniques. Based on spectral studies square planar geometry is assigned for Cu(II) and Ni(II) complexes, whereas Co(III) owned octahedral geometry. Ligand, [Cu(L)2] and [Ni(L)2] are crystallized and found to be monoclinic crystal systems. CT-DNA absorption binding studies revealed that the complexes show good binding propensity (Kb = 5.02 × 103 M-1, 2.77 × 103 M-1, 1.63 × 104 M-1 for 1, 2 and 3 respectively). The role of these complexes in the oxidative and photolytic cleavage of supercoiled pBR322 DNA was studied and found that the complexes cleave the pBR322 DNA effectively. The catalytic ability of 1, 2 and 3 follows the order: 3 > 1 >2. Antioxidant studies of the new complexes revealed that they exhibit significant antioxidant activity against DPPH radical. The Schiff base and its metal complexes have been screened for antibacterial studies by Minimum Inhibitory Concentration method. It is observed that all metal complexes showed more activity than free ligand.

  8. Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicals

    Science.gov (United States)

    Hara, Michikazu; Nakajima, Kiyotaka; Kamata, Keigo

    2015-06-01

    In recent decades, the substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively investigated for the manufacture of high value-added products such as biofuels, commodity chemicals, and new bio-based materials such as bioplastics. Numerous solid catalyst systems for the effective conversion of biomass feedstocks into value-added chemicals and fuels have been developed. Solid catalysts are classified into four main groups with respect to their structures and substrate activation properties: (a) micro- and mesoporous materials, (b) metal oxides, (c) supported metal catalysts, and (d) sulfonated polymers. This review article focuses on the activation of substrates and/or reagents on the basis of groups (a)-(d), and the corresponding reaction mechanisms. In addition, recent progress in chemocatalytic processes for the production of five industrially important products (5-hydroxymethylfurfural, lactic acid, glyceraldehyde, 1,3-dihydroxyacetone, and furan-2,5-dicarboxylic acid) as bio-based plastic monomers and their intermediates is comprehensively summarized.

  9. Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicals

    International Nuclear Information System (INIS)

    Hara, Michikazu; Nakajima, Kiyotaka; Kamata, Keigo

    2015-01-01

    In recent decades, the substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively investigated for the manufacture of high value-added products such as biofuels, commodity chemicals, and new bio-based materials such as bioplastics. Numerous solid catalyst systems for the effective conversion of biomass feedstocks into value-added chemicals and fuels have been developed. Solid catalysts are classified into four main groups with respect to their structures and substrate activation properties: (a) micro- and mesoporous materials, (b) metal oxides, (c) supported metal catalysts, and (d) sulfonated polymers. This review article focuses on the activation of substrates and/or reagents on the basis of groups (a)–(d), and the corresponding reaction mechanisms. In addition, recent progress in chemocatalytic processes for the production of five industrially important products (5-hydroxymethylfurfural, lactic acid, glyceraldehyde, 1,3-dihydroxyacetone, and furan-2,5-dicarboxylic acid) as bio-based plastic monomers and their intermediates is comprehensively summarized. (focus issue review)

  10. Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicals

    Science.gov (United States)

    Hara, Michikazu; Nakajima, Kiyotaka; Kamata, Keigo

    2015-01-01

    In recent decades, the substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively investigated for the manufacture of high value-added products such as biofuels, commodity chemicals, and new bio-based materials such as bioplastics. Numerous solid catalyst systems for the effective conversion of biomass feedstocks into value-added chemicals and fuels have been developed. Solid catalysts are classified into four main groups with respect to their structures and substrate activation properties: (a) micro- and mesoporous materials, (b) metal oxides, (c) supported metal catalysts, and (d) sulfonated polymers. This review article focuses on the activation of substrates and/or reagents on the basis of groups (a)–(d), and the corresponding reaction mechanisms. In addition, recent progress in chemocatalytic processes for the production of five industrially important products (5-hydroxymethylfurfural, lactic acid, glyceraldehyde, 1,3-dihydroxyacetone, and furan-2,5-dicarboxylic acid) as bio-based plastic monomers and their intermediates is comprehensively summarized. PMID:27877800

  11. A Facile Solvent Free Microwave Induced Synthesis and Antibacterial Activity of Some 3-(2’-Hydroxyphenyl-5-(Substituted Aryl-2-Pyrazoline-N1-Caboxaldehydes

    Directory of Open Access Journals (Sweden)

    Birbal Bajia

    2007-01-01

    Full Text Available A novel one pot formylation of 3-(2’-hydroxyphenyl-5-(substituted 2-pyrazolines has been carried out using microwave irradiation with formic acid. solvent free reaction afforded title compounds in 80-90% yield with high purity.synthesized compounds were tested for their antibacterial activity using standard drug.

  12. Quantum-chemical investigation of the 1,2-proton shift in protonated five-membered aromatic heterocycles

    International Nuclear Information System (INIS)

    Abronin, I.A.; Gorb, L.G.; Litvinov, V.P.

    1985-01-01

    Calculations of the energetics of the 1,2-proton shift in protonated five-membered aromatic heterocycles - pyrrole, furan, and thiophene - have been carried out by the SCF MO LCAO method in the MINDO/3 approximation and nonempirically on the OST-3GF (OST-3GF) basis. The general features of this process, and also the influence of solvation and of taking into account the vacant d-AOs of the sulfur atom in the protonated form of thiophene on the results of the calculation are considered. The results obtained have been used for a discussion of the activity and selectivity of the heterocycles considered in aromatic electrophilic substitution reactions

  13. Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and analogues.

    Science.gov (United States)

    Vallone, Alessandra; D'Alessandro, Sarah; Brogi, Simone; Brindisi, Margherita; Chemi, Giulia; Alfano, Gloria; Lamponi, Stefania; Lee, Soon Goo; Jez, Joseph M; Koolen, Karin J M; Dechering, Koen J; Saponara, Simona; Fusi, Fabio; Gorelli, Beatrice; Taramelli, Donatella; Parapini, Silvia; Caldelari, Reto; Campiani, Giuseppe; Gemma, Sandra; Butini, Stefania

    2018-04-25

    Therapies addressing multiple stages of Plasmodium falciparum life cycle are highly desirable for implementing malaria elimination strategies. MMV019918 (1, 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine) was selected from the MMV Malaria Box for its dual activity against both asexual stages and gametocytes. In-depth structure-activity relationship studies and cytotoxicity evaluation led to the selection of 25 for further biological investigation. The potential transmission blocking activity of 25 versus P. falciparum was confirmed through the standard membrane-feeding assay. Both 1 and 25 significantly prolonged atrioventricular conduction time in Langendorff-isolated rat hearts, and showed inhibitory activity of Ba 2+ current through Ca v 1.2 channels. An in silico target-fishing study suggested the enzyme phosphoethanolamine methyltransferase (PfPMT) as a potential target. However, compound activity against PfPMT did not track with the antiplasmodial activity, suggesting the latter activity relies on a different molecular target. Nevertheless, 25 showed interesting activity against PfPMT, which could be an important starting point for the identification of more potent inhibitors active against both sexual and asexual stages of the parasite. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

  14. Synthesis with Perfect Atom Economy: Generation of Furan Derivatives by 1,3-Dipolar Cycloaddition of Acetylenedicarboxylates at Cyclooctynes

    Directory of Open Access Journals (Sweden)

    Klaus Banert

    2014-09-01

    Full Text Available Cyclooctyne and cycloocten-5-yne undergo, at room temperature, a 1,3-dipolar cycloaddition with dialkyl acetylenedicarboxylates 1a,b to generate furan-derived short-lived intermediates 2, which can be trapped by two additional equivalents of 1a,b or alternatively by methanol, phenol, water or aldehydes to yield polycyclic products 3b–d, orthoesters 4a–c, ketones 5 or epoxides 6a,b, respectively. Treatment of bis(trimethylsilyl acetylenedicarboxylate (1c with cyclooctyne leads to the ketone 7 via retro-Brook rearrangement of the dipolar intermediate 2c. In all cases, the products are formed with perfect atom economy.

  15. A High-Capacity Image Data Hiding Scheme Using Adaptive LSB Substitution

    Directory of Open Access Journals (Sweden)

    H. Yang

    2009-12-01

    Full Text Available Many existing steganographic methods hide more secret data into edged areas than smooth areas in the host image, which does not differentiate textures from edges and causes serious degradation in actual edge areas. To avoid abrupt changes in image edge areas, as well as to achieve better quality of the stego-image, a novel image data hiding technique by adaptive Least Significant Bits (LSBs substitution is proposed in this paper. The scheme exploits the brightness, edges, and texture masking of the host image to estimate the number k of LSBs for data hiding. Pixels in the noise non-sensitive regions are embedded by a k-bit LSB substitution with a lager value of k than that of the pixels in noise sensitive regions. Moreover, an optimal pixel adjustment process is used to enhance stego-image visual quality obtained by simple LSB substitution method. To ensure that the adaptive number k of LSBs remains unchanged after pixel modification, the LSBs number is computed by the high-order bits rather than all the bits of the image pixel value. The theoretical analyses and experiment results show that the proposed method achieves higher embedding capacity and better stegoimage quality compared with some existing LSB methods.

  16. Influence of Alkali Metal Substitution on the Phase Transition Behavior of CsGaQ2 (Q = S, Se

    Directory of Open Access Journals (Sweden)

    Daniel Friedrich

    2017-12-01

    Full Text Available The formation of solid solution series Cs1−xMxGaQ2-mC64 (M = K, Rb; Q = S, Se; x = 0–1 was studied by X-ray diffraction and spectroscopic methods, revealing a complete miscibility of CsGaQ2-mC64 with RbGaQ2 and KGaSe2, and a large miscibility gap with KGaS2. All solid solution members exhibit similar Raman spectra, indicating the covalent Ga-Q bonding character. The similar optical band gaps likewise further contribute to this conclusion. Up to a certain degree of substitution, these solid solutions undergo a phase transition similar to CsGaQ2-mC64. The influence of the substitution parameter x on phase transition process was investigated in situ using high-temperature X-ray powder diffraction experiments. Phase-pure solid solutions of the high-temperature polymorphs Cs1−xMxGaQ2-mC16 were obtained up to xmax(K = 0.1 and xmax(Rb = 0.3. The crystal structures of these new CsGaQ2-mC16 analogous high-temperature phases were refined from synchrotron diffraction data by Rietveld-refinement.

  17. No variation and low synonymous substitution rates in coral mtDNA despite high nuclear variation

    Directory of Open Access Journals (Sweden)

    Hellberg Michael E

    2006-03-01

    Full Text Available Abstract Background The mitochondrial DNA (mtDNA of most animals evolves more rapidly than nuclear DNA, and often shows higher levels of intraspecific polymorphism and population subdivision. The mtDNA of anthozoans (corals, sea fans, and their kin, by contrast, appears to evolve slowly. Slow mtDNA evolution has been reported for several anthozoans, however this slow pace has been difficult to put in phylogenetic context without parallel surveys of nuclear variation or calibrated rates of synonymous substitution that could permit quantitative rate comparisons across taxa. Here, I survey variation in the coding region of a mitochondrial gene from a coral species (Balanophyllia elegans known to possess high levels of nuclear gene variation, and estimate synonymous rates of mtDNA substitution by comparison to another coral (Tubastrea coccinea. Results The mtDNA surveyed (630 bp of cytochrome oxidase subunit I was invariant among individuals sampled from 18 populations spanning 3000 km of the range of B. elegans, despite high levels of variation and population subdivision for allozymes over these same populations. The synonymous substitution rate between B. elegans and T. coccinea (0.05%/site/106 years is similar to that in most plants, but 50–100 times lower than rates typical for most animals. In addition, while substitutions to mtDNA in most animals exhibit a strong bias toward transitions, mtDNA from these corals does not. Conclusion Slow rates of mitochondrial nucleotide substitution result in low levels of intraspecific mtDNA variation in corals, even when nuclear loci vary. Slow mtDNA evolution appears to be the basal condition among eukaryotes. mtDNA substitution rates switch from slow to fast abruptly and unidirectionally. This switch may stem from the loss of just one or a few mitochondrion-specific DNA repair or replication genes.

  18. Hyperfine interactions in iron substituted high-Tc superconducting oxides

    International Nuclear Information System (INIS)

    Ellis, D.E.; Saitovitch, E.B.; Lam, D.J.

    1991-01-01

    The hyperfine interactions in Fe substituted copper oxide ternary and quaternary compounds with perovskite-related structures are studied, using the Local Density theory in an embedded cluster approach. The self-consistent electronic structure is examined for Cu and Fe sites in a number of plausible local geometries representative of La 2 Cu O 4 , YBa 2 Cu 3 O 7-δ and related materials. Moessbauer isomer shifts, electric fields gradients, magnetic moments, and contact hyperfine fields are presented for comparison with experiment and discussed in light of lattice structure data. (author)

  19. Effects of Al substitution in Nd2Fe17 studied by first-principles calculations

    International Nuclear Information System (INIS)

    Huang, M.; Ching, W.Y.

    1994-01-01

    We have studied the effect of Al substitution in Nd 2 Fe 17 compound by means of first-principles calculations. We first obtain the site-decomposed potentials for Fe from self-consistent calculation on Y 2 Fe 17 and the atomiclike potentials in the crystalline environment for Al and Nd. Calculations are carried out for a single Al substituting one Fe at four different Fe sites (6c), (9d), (18f ), and (18h), two Al substituting two Fe (18h), and four Al substituting three Fe (18h) and one Fe (18f ). Our results show that the Al moment is oppositely polarized to Fe. The average moment per Fe atom actually increases for Al substituting Fe (18h) and Fe (18f ) is about the same for Al substituting Fe (6c), and is drastically reduced when replacing Fe (9d). Experimentally, Al is shown to be excluded from the (9d) sites because of the small Wigner--Seitz volume. When two Fe atoms are replaced by two Al atoms, the total moment is only slightly less than when only one Fe atom is replaced, and the M s per Fe site actually increases, in agreement with the Moessbauer data. These results are analyzed in terms of the local atomic geometry and the charge transfer effect from the neighboring Fe to Al

  20. Quantum mechanical design of efficient second-order nonlinear optical materials based on heteroaromatic imido-substituted hexamolybdates: first theoretical framework of POM-based heterocyclic aromatic rings.

    Science.gov (United States)

    Janjua, Muhammad Ramzan Saeed Ashraf

    2012-11-05

    This work was inspired by a previous report (Janjua et al. J. Phys. Chem. A 2009, 113, 3576-3587) in which the nonlinear-optical (NLO) response strikingly improved with an increase in the conjugation path of the ligand and the nature of hexamolybdates (polyoxometalates, POMs) was changed into a donor by altering the direction of charge transfer with a second aromatic ring. Herein, the first theoretical framework of POM-based heteroaromatic rings is found to be another class of excellent NLO materials having double heteroaromatic rings. First hyperpolarizabilities of a large number of push-pull-substituted conjugated systems with heteroaromatic rings have been calculated. The β components were computed at the density functional theory (DFT) level (BP86 geometry optimizations and LB94 time-dependent DFT). The largest β values are obtained with a donor (hexamolybdates) on the benzene ring and an acceptor (-NO(2)) on pyrrole, thiophene, and furan rings. The pyrrole imido-substituted hexamolybdate (system 1c) has a considerably large first hyperpolarizability, 339.00 × 10(-30) esu, and it is larger than that of (arylimido)hexamolybdate, calculated as 0.302 × 10(-30) esu (reference system 1), because of the double aromatic rings in the heteroaromatic imido-substituted hexamolybdates. The heteroaromatic rings act as a conjugation bridge between the electron acceptor (-NO(2)) and donor (polyanion). The introduction of an electron donor into heteroaromatic rings significantly enhances the first hyperpolarizabilities because the electron-donating ability is substantially enhanced when the electron donor is attached to the heterocyclic aromatic rings. Interposing five-membered auxiliary fragments between strong donor (polyanion) or acceptor (-NO(2)) groups results in a large computed second-order NLO response. The present investigation provides important insight into the NLO properties of (heteroaromatic) imido-substituted hexamolybdate derivatives because these compounds

  1. High density Gd-substituted yttrium iron garnets by coprecipitation

    International Nuclear Information System (INIS)

    Lamastra, Francesca Romana; Bianco, Alessandra; Leonardi, Federica; Montesperelli, Giampiero; Nanni, Francesca; Gusmano, Gualtiero

    2008-01-01

    Gadolinium-substituted yttrium iron garnets are ferrite materials of primary importance in microwave engineering. Stoichiometric powders of nominal composition Y 2.6 Gd 0.4 Fe 5 O 12 (i.e. Fe/(Y + Gd) = 1.67) were prepared by reverse strike coprecipitation of metal nitrates. In order to investigate the influence of composition on phase formation, non-stoichiometric powders were also synthesised. On the basis of DTA/TGA analysis, dried coprecipitates were calcined between 600 deg. C and 1200 deg. C and then characterised by ICP, XRD and HT-XRD. Amorphous coprecipitates crystallise around 700 deg. C in cubic garnet phase along with small amounts of YFeO 3 and/or α-Fe 2 O 3 . Only iron-rich garnets, either pure or Gd-substituted, calcined at 1200 deg. C or above display a single-phase cubic garnet. According to thermal dilatometry results, calcined powders were sintered in air up to 1470 deg. C. The microstructure of sintered ceramics is made up of fine grains, the average size ranging between 3 μm and 13 μm. Density of sintered bodies ranged from 88% to 98%. Ferromagnetic resonance linewidth (ΔH -3dB ) ranged between 4352.9 A m -1 and 4392.7 A m -1 , depending on composition and microstructure

  2. Determination of furan precursors and some thermal damage markers in baby foods: ascorbic acid, dehydroascorbic acid, hydroxymethylfurfural and furfural.

    Science.gov (United States)

    Mesías-García, Marta; Guerra-Hernández, Eduardo; García-Villanova, Belén

    2010-05-26

    The presence of ascorbic acid (AA), vitamin C (AA + dehydroascorbic acid (DHAA)) and furfural as potential precursors of furan in commercial fruit and vegetable jarred baby food was studied. Hydroxymethylfurfural (HMF) was also determined and used, together with furfural levels, as markers of thermal damage. AA, calculated DHAA and vitamin C values ranged between 22.4 and 103, 2.9 and 13.8, and 32.1 and 113.2 mg/100 g, respectively, in fruit-based baby food. However, no trace of AA was found in the vegetable-based baby food samples tested, probably because these samples are not enriched in vitamin C and the content of this vitamin in fresh vegetables is destroyed during processing. Furfural values ranged from not detected to 236 microg/100 g, being higher in vegetable samples than in fruit samples possibly because of greater AA degradation favored by a higher pH in the vegetable samples. HMF values (range: not detected-959 microg/100 g), however, were higher in the fruit samples, probably due to greater carbohydrate content degradation and as a consequence of the Maillard reaction, favored by a lower pH in these samples. According to these results, HMF would be the optimum indicator of thermal treatment for fruits, and furfural for vegetables. The higher furfural content of vegetable baby food could be considered an index of greater AA degradation and, therefore, the furan content might be higher in this kind of sample than in fruit-based baby food.

  3. One-dimensional photonic crystals with highly Bi-substituted iron garnet defect in reflection polar geometry

    International Nuclear Information System (INIS)

    Mikhailova, T V; Berzhansky, V N; Karavainikov, A V; Shaposhnikov, A N; Prokopov, A R; Lyashko, S D

    2016-01-01

    It is represented the results of modelling of magnetooptical properties in reflection polar geometry of one-dimensional photonic crystal, in which highly Bi-substituted iron garnet defect of composition Bi 1.0 Y 0.5 Gd 1.5 Fe 4.2 A l0.8 O 12 / Bi 2.8 Y 0.2 Fe 5 Oi 2 is located between the dielectric Bragg mirrors (SiO 2 / TiO 2 ) m (were m is number of layer pairs) and buffer SiO 2 and gold top layers of different thicknesses is placed on structure. The modification of spectral line- shapes of microcavity and Tamm plasmon-polariton modes depending on m is found. (paper)

  4. The Pr and Ca Substitution in GdBa2Cu3O7- & delta

    Directory of Open Access Journals (Sweden)

    H. S. H.

    2001-12-01

    Full Text Available   The granular Gd1-x-zPrxCazBa2Cu3O7-δ high-temperature cuprate samples with 0.0 ≤ x ≤ 0.3 and 0.0≤ x ≤ 0.35 are prepared by standard solid state reaction and characterized by XRD and SEM techniques. The BaCuO2 and impurity phases are less than 1% in the samples having high levels of pr and Ca concentrations. The electrical resistivity measurements show a nonlinear reduction in Tc(x,z=etc versus x. Moreover, the Tc(z curve with x=0 is nonlinear and aplateau appears at z≈ 0.05-0.015. For Pr-Ca-doped samples with a constant concentration of Pr, Tc increases with the increase of Ca up to an optimum value of Ca doping and then in decreases. Based on these observations, we suggest that hole filling and hole localization the main effects of Pr ion substiution. The magnetic measurements indicate that the value of Hc1 is in the order of 10 mT. The mangetoresistance measurements have been measured and analyzed. The superconducting transition region is broadened by the application of magnetic field. The experimental data near the onsen of superconductivity are fitted with the Ambegakor and Halperin (AH phase-slip model. We observe that the AH parameter,γ (H, depends not only on the temperature and the magnetic field, but also on the Pr and Ca ions concentrations. It is observed that the critical current density increases with Ca substitution and decreases with Pr substitution in Gd-123 system. We suggest that the Pr ion substitution probably enhances the weak link, but the Ca ion acts as flux pinning center in the GdPrCa-123 system.

  5. Diaminoethane adsorption and water substitution on hydrated TiO2: a thermochemical study based on first-principles calculations.

    Science.gov (United States)

    Hémeryck, Anne; Motta, Alessandro; Swiatowska, Jolanta; Pereira-Nabais, Catarina; Marcus, Philippe; Costa, Dominique

    2013-07-14

    Epoxy-amines are used as structural adhesives deposited on Ti. The amine adhesion to a Ti surface depends highly on the surface state (oxidation, hydroxylation). Amines may adsorb above preadsorbed water molecules or substitute them to bind directly to surface Ti(4+) Lewis acid sites. The adsorption of a model amine molecule, diaminoethane (DAE), on a model surface, hydrated TiO2-anatase (101) surface, is investigated using Density Functional Theory including Dispersive forces (DFT-D) calculations. DAE adsorption and water substitution by DAE are exothermic processes and turn nearly isoenergetic at high coverage with adsorption-substitution energies around -0.3 eV (including dispersion forces and ZPE). Complementary ab initio molecular dynamics studies also suggest that the formation of an amine-water interaction induces water desorption from the surface at room temperature, a preliminary step towards the amine-Ti bond formation. An atomistic thermodynamic approach is developed to evaluate the interfacial free energy balance of both processes (adsorption and substitution). The main contributions to the energetic balance are dispersive interactions between molecules and the surface on the exergonic side, translational and rotational entropic contributions on the endergonic one. The substitution process is stabilized by 0.55 eV versus the adsorption one when free solvation, rotational and vibrational energies are considered. The main contribution to this free energy gain is due to water solvation. The calculations suggest that in toluene solvent with a water concentration of 10(-4) M or less, a full DAE layer replaces a preadsorbed water layer for a threshold concentration of DAE ≥ 0.1 M.

  6. Loss of BRCA1 or BRCA2 markedly increases the rate of base substitution mutagenesis and has distinct effects on genomic deletions

    DEFF Research Database (Denmark)

    Zamborszky, J.; Szikriszt, B.; Gervai, J. Z.

    2017-01-01

    -genome sequencing of multiple isogenic chicken DT40 cell clones to precisely determine the consequences of BRCA1/2 loss on all types of genomic mutagenesis. Spontaneous base substitution mutation rates increased sevenfold upon the disruption of either BRCA1 or BRCA2, and the arising mutation spectra showed strong...... of stalled replication forks as the cause of increased mutagenesis. The high rate of base substitution mutagenesis demonstrated by our experiments is likely to significantly contribute to the oncogenic effect of the inactivation of BRCA1 or BRCA2....

  7. Redução da hidrofilicidade de filmes biodegradáveis à base de amido por meio de polimerização por plasma Reduction of hydrophilicity of biodegradable starch-based films by plasma polymerization

    Directory of Open Access Journals (Sweden)

    Rossana M. S. M. Thiré

    2004-03-01

    Full Text Available Devido ao baixo custo de produção e excelente biodegradabilidade, o amido constitui-se em matéria-prima promissora para a produção de plásticos biodegradáveis. No entanto, a grande hidrofilicidade dos filmes à base de amido representa uma séria limitação tecnológica à sua comercialização, uma vez que as propriedades dos filmes são afetadas pela variação da umidade relativa do ar durante a sua estocagem ou o seu uso. Neste trabalho, filmes de amido termoplástico foram recobertos com uma fina camada protetora polimérica gerada por intermédio da tecnologia de plasma frio. 1-Buteno e 1,3-butadieno foram utilizados como monômeros para a polimerização por plasma. Os filmes recobertos apresentaram uma redução de até 80% na absorção de água e aumento do ângulo de contato em relação à água. Estes resultados indicaram uma redução significativa na natureza hidrofílica do material à base de amido após o recobrimento.Due to low cost and excellent biodegradability, the use of starch as a raw material for bioplastic production is growing in interest. However, the properties of starch-based materials are affected by relative humidity during their use and storage due to their hydrophilic character. In this work, thermoplastic cornstarch films were coated by cold plasma technology with a protective thin layer in order to reduce water sensitivity. 1-Butene and 1,3-butadiene were used as monomers for plasma polymerization. Coated films presented a reduction of water absorption up to 80% an increase in contact angle related to water. These results indicated that the coating process reduced significantly the hydrophilic nature of the starch-based materials.

  8. Alterações clínicas e laboratoriais em equinos adaptados a dieta com nível elevado de concentrado e submetidos à sobrecarga dietética com amido

    Directory of Open Access Journals (Sweden)

    Tiago Marques dos Santos

    2011-04-01

    Full Text Available Este trabalho teve como objetivo avaliar o efeito da sobrecarga dietética com amido em equinos adaptados a dieta com nível elevado de concentrado. Seis equinos adultos foram previamente adaptados à dieta composta por feno de coast cross e concentrado na proporção de 60:40 e, posteriormente submetidos à infusão gástrica de 17,6 g amido/kg de peso corporal. Os equinos foram avaliados por meio de exames clínicos e laboratoriais até 36 horas após a sobrecarga. Um equino veio a óbito 32 horas após a sobrecarga, apresentando quadro clínico de endotoxemia e laminite. Não houve diferença (P > 0,05 nas frequências cardíaca e respiratória, temperatura retal, tempo de preenchimento capilar e temperatura superficial dos cascos dos equinos durante o experimento. Houve tendência ao aumento na motilidade intestinal, seguido de aumento na fluidez das fezes. O volume globular e a concentração de proteína plasmática total aumentaram (P < 0,05 24 horas após a sobrecarga quando comparados aos valores basais, de 26,7 a 32,0% e de 7,1 e 8,1 g/dL, respectivamente. Os neutrófilos bastonetes aumentaram (P < 0,05 durante o período de avaliação, com valores variando de 0,1 a 0,7 x 10(3/µL antes da sobrecarga e 24 horas após, respectivamente, enquanto os eosinófilos apresentaram redução. A concentração plasmática de lactato teve aumento discreto com diferença (P < 0,05 antes, 20 e 28 horas após a sobrecarga, com valores de 0,7, 1,0 e 1,2 mmol/L, respectivamente. Conclui-se que equinos consumindo dieta com elevado nível de concentrado e submetidos à sobrecarga dietética com amido apresentam alterações clínicas e laboratoriais moderadas, porém, casos graves, seguidos do óbito, podem ocorrer devido à variação individual.

  9. Highly oriented thin films of a substituted oligo(para-phenylenevinylene) on friction-transferred PTFE substrates

    NARCIS (Netherlands)

    Gill, R.E; Hadziioannou, G; Lang, P.; Garnier, F.; Wittmann, J.C.

    Communication: Highly oriented thin films of oligo(p-phenylenevinylene)s, oligoPPVs, provide information about the structure of polyPPV and structure-property relationships. It is shown that deposition of a substituted oligoPPV onto highly preoriented PTFE substrates leads to highly oriented thin

  10. Origin and Distribution of Thiophenes and Furans in Gas Discharges from Active Volcanoes and Geothermal Systems

    Directory of Open Access Journals (Sweden)

    Franco Tassi

    2010-03-01

    Full Text Available The composition of non-methane organic volatile compounds (VOCs determined in 139 thermal gas discharges from 18 different geothermal and volcanic systems in Italy and Latin America, consists of C2–C20 species pertaining to the alkanes, alkenes, aromatics and O-, S- and N-bearing classes of compounds. Thiophenes and mono-aromatics, especially the methylated species, are strongly enriched in fluids emissions related to hydrothermal systems. Addition of hydrogen sulphide to dienes and electrophilic methylation involving halogenated radicals may be invoked for the formation of these species. On the contrary, the formation of furans, with the only exception of C4H8O, seems to be favoured at oxidizing conditions and relatively high temperatures, although mechanisms similar to those hypothesized for the production of thiophenes can be suggested. Such thermodynamic features are typical of fluid reservoirs feeding high-temperature thermal discharges of volcanoes characterised by strong degassing activity, which are likely affected by conspicuous contribution from a magmatic source. The composition of heteroaromatics in fluids naturally discharged from active volcanoes and geothermal areas can then be considered largely dependent on the interplay between hydrothermal vs. magmatic contributions. This implies that they can be used as useful geochemical tools to be successfully applied in both volcanic monitoring and geothermal prospection.

  11. Origin and distribution of thiophenes and furans in gas discharges from active volcanoes and geothermal systems.

    Science.gov (United States)

    Tassi, Franco; Montegrossi, Giordano; Capecchiacci, Francesco; Vaselli, Orlando

    2010-03-31

    The composition of non-methane organic volatile compounds (VOCs) determined in 139 thermal gas discharges from 18 different geothermal and volcanic systems in Italy and Latin America, consists of C(2)-C(20) species pertaining to the alkanes, alkenes, aromatics and O-, S- and N-bearing classes of compounds. Thiophenes and mono-aromatics, especially the methylated species, are strongly enriched in fluids emissions related to hydrothermal systems. Addition of hydrogen sulphide to dienes and electrophilic methylation involving halogenated radicals may be invoked for the formation of these species. On the contrary, the formation of furans, with the only exception of C(4)H(8)O, seems to be favoured at oxidizing conditions and relatively high temperatures, although mechanisms similar to those hypothesized for the production of thiophenes can be suggested. Such thermodynamic features are typical of fluid reservoirs feeding high-temperature thermal discharges of volcanoes characterised by strong degassing activity, which are likely affected by conspicuous contribution from a magmatic source. The composition of heteroaromatics in fluids naturally discharged from active volcanoes and geothermal areas can then be considered largely dependent on the interplay between hydrothermal vs. magmatic contributions. This implies that they can be used as useful geochemical tools to be successfully applied in both volcanic monitoring and geothermal prospection.

  12. Supercritical water oxidation of dioxins and furans in waste incinerator fly ash, sewage sludge and industrial soil.

    Science.gov (United States)

    Zainal, Safari; Onwudili, Jude A; Williams, Paul T

    2014-08-01

    Three environmental samples containing dioxins and furans have been oxidized in the presence of hydrogen peroxide under supercritical water oxidation conditions. The samples consisted of a waste incinerator fly ash, sewage sludge and contaminated industrial soil. The reactor system was a batch, autoclave reactor operated at temperatures between 350 degrees C and 450degrees C, corresponding to pressures of approximately 20-33.5 MPa and with hydrogen peroxide concentrations from 0.0 to 11.25 vol%. Hydrogen peroxide concentration and temperature/pressure had a strong positive effect on the oxidation of dioxins and furans. At the highest temperatures and pressure of supercritical water oxidation of 4500C and 33.5 MPa and with 11.25 vol% of hydrogen peroxide, the destruction efficiencies of the individual polychlorinated dibenzo-p-dioxins/polychlorinated dibenzofurans (PCDD/PCDF) isomers were between 90% and 99%. There did not appear to be any significant differences in the PCDD/PCDF destruction efficiencies in relation to the different sample matrices of the waste incinerator fly ash, sewage sludge and contaminated industrial soil.

  13. Analysis of the ortho effect: acidity of 2-substituted benzoic acids

    Czech Academy of Sciences Publication Activity Database

    Böhm, S.; Fiedler, Pavel; Exner, Otto

    2004-01-01

    Roč. 28, - (2004), s. 67-74 ISSN 1144-0546 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4055905 Keywords : 2-substituted benzoic acids * steric effects Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.735, year: 2004

  14. Substituted N-Phenylpyrazine-2-carboxamides, Their Synthesis and Evaluation as Herbicides and Abiotic Elicitors

    Directory of Open Access Journals (Sweden)

    Katarína Kráľová

    2007-12-01

    Full Text Available The condensation of substituted pyrazine-2-carboxylic acid chlorides with ring-substituted anilines yielded five substituted pyrazine-2-carboxylic acid amides. Thesynthesis, and analytical, lipophilicity and biological data of the newly synthesizedcompounds are presented in this paper. The photosynthesis inhibition, antialgal activityand the effect of a series of pyrazine derivatives as abiotic elicitors on the accumulation offlavonoids in a callus culture of Ononis arvensis (L. were investigated. The most activeinhibitor of the oxygen evolution rate in spinach chloroplasts was 6-chloro-pyrazine-2-carboxylic acid (3-iodo-4-methylphenyl-amide (2, IC50 = 51.0 μmol·L-1. The highestreduction of chlorophyll content in Chlorella vulgaris was found for 5-tert-butyl-N-(4-chloro-3-methylphenyl-pyrazine-2-carboxamide (3, IC50 = 44.0 μmol·L-1. The maximalflavonoid production (about 900% was reached after a twelve-hour elicitation processwith 6-chloropyrazine-2-carboxylic acid (3-iodo-4-methylphenyl-amide (2.

  15. Substitutions between dairy product subgroups and risk of type 2 diabetes

    DEFF Research Database (Denmark)

    Ibsen, Daniel B; Laursen, Anne Sofie D; Lauritzen, Lotte

    2017-01-01

    The aim of this study was to investigate the associations for specified substitutions between different subgroups of dairy products and the risk of type 2 diabetes. We used data from the Danish Diet, Cancer and Health cohort including 54 277 men and women aged 50-64 years at baseline. Information...... regarding intake of dairy products was obtained from a validated FFQ, and cases of type 2 diabetes were identified through the Danish National Diabetes Register. Cox proportional hazards regressions were used to estimate associations. During a median follow-up of 15·3 years, 7137 cases were identified. Low......-fat yogurt products in place of whole-fat yogurt products were associated with a higher rate of type 2 diabetes (hazard ratio (HR) 1·17; 95 % CI 1·06, 1·29) per serving/d substituted. Whole-fat yogurt products in place of low-fat milk, whole-fat milk or buttermilk were associated with a lower rate of type 2...

  16. Synthesis of Poly (Amido-Amine) and Its Application for Removal of Metal Ions

    International Nuclear Information System (INIS)

    Siyam, T.; Abdel-Hamid, M.M.; El-Naggar, I.M.

    1999-01-01

    Poly (amido-amine) such as poly(acrylamide-acrylic acid-dimethylaminoethylmethacrylate) P(AM-AA-DMAEM) was prepared by gamma irradiation induced template polymerization of acrylic acid on in the presence of poly(acrylamide-dimethylaminoethylmethacrylate) as a template polymer. The polymerization was studied by a free radical mechanism in aqueous solution and the hydrogel was obtained. The swelling degree of the formed hydrogel increases by increasing the polymer/monomer molar ratio and decreases with increasing the monomer concentration. The swelling degree was also found to depend on the radiation dose. The results showed that the capacity of the obtained hydrogel was found to be maximum at polymer/monomer molar ratio of 1.3. The capacity of the polymeric materials increases with increasing the monomer concentration and decreases with increasing the radiation doses. The metal cations interact with polymeric chains to form a cross-linked structure after cation build-up. Tlus interaction occurs through complex formation between amide and amine groups with cations whereas the carboxylic group interacts by cation-exchange mechanism

  17. Design of ortho-Substituted Donor-Acceptor Molecules as Highly Efficient Green Thermally Activated Delayed Fluorescent Emitters

    Science.gov (United States)

    Cha, Jae-Ryung; Gong, Myoung-Seon; Lee, Tak Jae; Ha, Tae Hoon; Lee, Chil Won

    2018-04-01

    The ortho-substituted donor-acceptor molecules 2-(4,6-diphenyl-1, 3, 5-triazin-2-yl)- N,Ndiphenylaniline (DPA- o-Trz) and 2-(4,6-diphenyl-1, 3, 5-triazine-2-yl)- N,N-di- p-tolylaniline (MPA- o-Trz) were designed, synthesized, and found to exhibit green fluorescence characteristics. Notably, the singlet-triplet energy gap was less than 0.1 eV, indicating that reverse intersystem crossing gave rise to thermally activated delayed fluorescence (TADF). The organic light-emitting device performance of MPA- o-Trz showed a high external quantum efficiency of 16.3% and good color stability from 0.1 cd/m2 to 5000 cd/m2.

  18. Non-degenerate 1,2-silyl shift in silyl substituted alkyltrimethylcyclopentadienes

    Czech Academy of Sciences Publication Activity Database

    Pinkas, Jiří; Kubišta, Jiří; Gyepes, R.; Čejka, Jiří; Meunier, P.; Mach, Karel

    2005-01-01

    Roč. 690, č. 3 (2005), s. 731-741 ISSN 0022-328X Grant - others:French Government(FR) 20006842 Institutional research plan: CEZ:AV0Z40400503 Keywords : substituted cyclopentadienes * silatropic shift * dynamic NMR spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.025, year: 2005

  19. Antiviral activity of 3(2H- and 6-chloro-3(2H-isoflavenes against highly diverged, neurovirulent vaccine-derived, type2 poliovirus sewage isolates.

    Directory of Open Access Journals (Sweden)

    Lester M Shulman

    Full Text Available BACKGROUND: Substituted flavanoids interfere with uncoating of Enteroviruses including Sabin-2 polio vaccine strains. However flavanoid resistant and dependent, type-2 polio vaccine strains (minimally-diverged, emerged during in vitro infections. Between 1998-2009, highly-diverged (8 to >15% type-2, aVDPV(2s, from two unrelated persistent infections were periodically isolated from Israeli sewage. AIM: To determine whether highly evolved aVDPV(2s derived from persistent infections retained sensitivity to isoflavenes. METHODS: Sabin-2 and ten aVDPV(2 isolates from two independent Israeli sources were titered on HEp2C cells in the presence and absence of 3(2H- Isoflavene and 6-chloro-3(2H-Isoflavene. Neurovirulence of nine aVDPV(2s was measured in PVR-Tg-21 transgenic mice. Differences were related to unique amino acid substitutions within capsid proteins. PRINCIPAL FINDINGS: The presence of either flavanoid inhibited viral titers of Sabin-2 and nine of ten aVDPV(2s by one to two log(10. The tenth aVDPV(2, which had unique amino acid substitution distant from the isoflavene-binding pocket but clustered at the three- and five-fold axies of symmetry between capsomeres, was unaffected by both flavanoids. Genotypic neurovirulence attenuation sites in the 5'UTR and VP1 reverted in all aVDPV(2s and all reacquired a full neurovirulent phenotype except one with amino acid substitutions flanking the VP1 site. CONCLUSION: Both isoflavenes worked equally well against Sabin 2 and most of the highly-diverged, Israeli, aVDPV(2s isolates. Thus, functionality of the hydrophobic pocket may be unaffected by selective pressures exerted during persistent poliovirus infections. Amino acid substitutions at sites remote from the drug-binding pocket and adjacent to a neurovirulence attenuation site may influence flavanoid antiviral activity, and neurovirulence, respectively.

  20. Glycerol as Precursor of Organoselanyl and Organotellanyl Alkynes.

    Science.gov (United States)

    Lenardão, Eder J; Borges, Elton L; Stach, Guilherme; Soares, Liane K; Alves, Diego; Schumacher, Ricardo F; Bagnoli, Luana; Marini, Francesca; Perin, Gelson

    2017-03-02

    Herein we describe the synthesis of organoselanyl and organotellanyl alkynes by the addition of lithium alkynylchalcogenolate (Se and Te) to tosyl solketal, easily obtained from glycerol. The alkynylchalcogenolate anions were generated in situ and added to tosyl solketal in short reaction times, furnishing in all cases the respective products of substitution in good yields. Some of the prepared compounds were deprotected using an acidic resin to afford new water-soluble 3-organotellanylpropane-1,2-diols. The synthetic versatility of the new chalcogenyl alkynes was demonstrated in the iodocyclization of 2,2-dimethyl-1,3-dioxolanylmethyl(2-methoxyphenylethynyl)selane 3f , which afforded 3-iodo-2-(2,2-dimethyl-1,3-dioxolanylmethyl) selenanylbenzo[ b ]furan in 85% yield, opening a new way to access water-soluble Se-functionalized benzo[ b ]furanes.