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Sample records for carbazoles

  1. Synthesis of Benzo[a]carbazoles and an Indolo[2,3-a]carbazole from 3-Aryltetramic Acids.

    Science.gov (United States)

    Truax, Nathanyal J; Banales Mejia, Fernando; Kwansare, Deborah O; Lafferty, Megan M; Kean, Maeve H; Pelkey, Erin T

    2016-08-01

    A simple and flexible approach to 3-pyrrolin-2-one fused carbazoles is disclosed. The key step involves the BF3-mediated electrophilic substitution of indoles with N-alkyl-substituted 3-aryltetramic acids, which provides access to indole-substituted 3-pyrrolin-2-ones. Scholl-type oxidative cyclizations of these materials led to the formation of the corresponding 3-pyrrolin-2-one-fused benzo[a]carbazoles and indolo[2,3-a]carbazoles. This work represents the first synthesis of the benzo[a]pyrrolo[3,4-c]carbazol-3(8H)-one ring system, while the indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one ring system is found in a number of biologically active compounds including the protein kinase C (PKC) inhibitor, staurosporine. PMID:27391374

  2. A New Binary Carbazole Alkaloid from Murraya koenigii

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A new binary carbazole alkaloid, 8, 8"-biskoenigine (1), along with its monomer,kocnigine, was isolated from the dried leaves of Murraya koenigii collected in Xishuangbanna,Yunnan province. The structure of 1 was established by spectroscopic methods.

  3. A convenient preparation of 9 H -carbazole-3,6-dicarbonitrile and 9 H -carbazole-3,6-dicarboxylic acid

    KAUST Repository

    Weselinski, Lukasz Jan

    2014-01-23

    A catalytic, high yielding and scalable procedure for the synthesis of 9H-carbazole-3,6-dicarbonitrile has been developed. Subsequent hydrolysis of the dinitrile in the presence of a catalytic copper species (i.e., CuI) yields 9H-carbazole-3,6-dicarboxylic acid. Both compounds are versatile and fine-tunable organic building blocks and therefore offer potential in material science, medicinal and supramolecular chemistry. © Georg Thieme Verlag Stuttgart New York.

  4. Carbazole degradation in the soil microcosm by tropical bacterial strains

    Directory of Open Access Journals (Sweden)

    Lateef B. Salam

    2015-01-01

    Full Text Available In a previous study, three bacterial strains isolated from tropical hydrocarbon-contaminated soils and phylogenetically identified as Achromobacter sp. strain SL1, Pseudomonassp. strain SL4 and Microbacterium esteraromaticum strain SL6 displayed angular dioxygenation and mineralization of carbazole in batch cultures. In this study, the ability of these isolates to survive and enhance carbazole degradation in soil were tested in field-moist microcosms. Strain SL4 had the highest survival rate (1.8 x 107 cfu/g after 30 days of incubation in sterilized soil, while there was a decrease in population density in native (unsterilized soil when compared with the initial population. Gas chromatographic analysis after 30 days of incubation showed that in sterilized soil amended with carbazole (100 mg/kg, 66.96, 82.15 and 68.54% were degraded by strains SL1, SL4 and SL6, respectively, with rates of degradation of 0.093, 0.114 and 0.095 mg kg−1 h−1. The combination of the three isolates as inoculum in sterilized soil degraded 87.13% carbazole at a rate of 0.121 mg kg−1 h−1. In native soil amended with carbazole (100 mg/kg, 91.64, 87.29 and 89.13% were degraded by strains SL1, SL4 and SL6 after 30 days of incubation, with rates of degradation of 0.127, 0.121 and 0.124 mg kg−1h−1, respectively. This study successfully established the survivability (> 106 cfu/g detected after 30 days and carbazole-degrading ability of these bacterial strains in soil, and highlights the potential of these isolates as seed for the bioremediation of carbazole-impacted environments.

  5. Synthesis of new heteroaryldi(diindolyl)methanes: Colorimetric detection of DNA by di(diindolylmethyl)carbazoles

    Indian Academy of Sciences (India)

    Ramu Meesala; Rajagopal Nagarajan

    2009-03-01

    We have synthesized di(diindolylmethyl)carbazoles and di(diindolylmethyl)pyrroles by the reaction of substituted indoles with the corresponding carbazole and pyrroledicarboxaldehydes by employing a new catalyst PPh3.CF3SO3H. We have also demonstrated the utility of di(diindolylmethyl) carbazole derivatives for the colourimetric and fluorometric detection of DNA.

  6. Synthesis and Characterization of Carbazole-Linked Porphyrin Tweezers.

    Science.gov (United States)

    Chang, Yi; Michelin, Clément; Bucher, Léo; Desbois, Nicolas; Gros, Claude P; Piant, Sébastien; Bolze, Frédéric; Fang, Yuanyuan; Jiang, Xiaoqin; Kadish, Karl M

    2015-08-17

    Herein the synthesis, spectroscopic characterization, two-photon absorption and electrochemical properties of 3,6-disubstituted carbazole tweezers is reported. A dimer resulting from a Glaser homocoupling was isolated during a Sonogashira coupling reaction between a diethynyl-carbazole spacer and a 5-bromo-triarylporphyrin and the properties of this original compound were compared with the 3,6-disubstituted carbazole bisporphyrin tweezers. The dyads reported herein present a two-photon absorption maximum at 920 nm with two-photon absorption cross-section in the 1200 GM range. Despite a strong linear absorption in the Soret region and moderate fluorescence quantum yield, they both lead to a high brightness reaching 30 000 M(-1)  cm(-1) . PMID:26177731

  7. Synthesis and characterizations of carbazole-isoindigo-carbazole oligomers for photovoltaic application

    Science.gov (United States)

    Lee, Ji-Young; Lee, Song-Mi; Lee, Soo-Hyoung; Kim, Dong-Hee; Lee, Sang Hee; Lee, Youn-Sik

    2016-08-01

    6,6‧-Dibromo-N,N‧-(2-octyldodecanyl)isoindigo was coupled to either 4-(N-carbazolyl)phenyl boronic acid or 9-phenyl-9H-carbazole-3-boronic acid to give two different conjugated molecules of P-II-P and C-II-C, respectively. The optical band gap/HOMO levels of P-II-P and C-II-C were 1.90/-5.60 eV and 1.85/-5.39 eV, respectively. Based on the experimental and calculation data, C-II-C is more highly conjugated than P-II-P. The performances of C-II-C-based photovoltaic devices were better than those of P-II-P-based devices, with the best power conversion efficiency of 0.44%.

  8. Synthesis, Characterization, and Surface Initiated Polymerization of Carbazole Functionalized Isocyanides

    NARCIS (Netherlands)

    Schwartz, Erik; Lim, Eunhee; Gowda, Chandrakala M.; Liscio, Andrea; Fenwick, Oliver; Tu, Guoli; Palermo, Vincenzo; Gelder, de Rene; Cornelissen, Jeroen J.L.M.; Eck, van Ernst R.H.; Kentgens, Arno P.M.; Cacialli, Franco; Nolte, Roeland J.M.; Samori, Paolo; Huck, Wilhelm T.S.; Rowan, Alan E.

    2010-01-01

    We describe the design and synthesis of carbazole functionalized isocyanides and the detailed investigation of their properties. Characterization by solid state NMR, CD, and IR spectroscopic techniques reveals that the polymer has a well-defined helical architecture. Surface-initiated polymerization

  9. Synthesis and Photophysical Properties of C60-carbazole Adducts

    Institute of Scientific and Technical Information of China (English)

    YIN ,Gui(尹桂); YIN,Gui; MAO,Xin-Ping(毛新平); MAO,Xin-Ping; SUO,Zhi-Yong(锁志勇); SUO,Zhi-Yong; XU,Zheng(徐正); XU,Zheng

    2001-01-01

    Three C60-cartazole adducts have been synthesized by 1,3-dipolar cycloaddition reaction.Intramolecular energy/electron transfer from carbazole to C60 was observed by steady-state absorption and fluorescence spectra.The fluorescence spectra of these adducts were similau to each other and dependent on the excitation wavelength and solvent.

  10. 9-Hexyl-3-iodo-9H-carbazole

    Directory of Open Access Journals (Sweden)

    Wen-Qian Geng

    2010-01-01

    Full Text Available In the title molecule, C18H20IN, the tricyclic carbazole system is essentially planar with the two outer rings forming a dihedral angle of 0.43 (8°. The crystal packing exhibits no short intermolecular contacts.

  11. Carbazole functionalized isocyanide brushes in heterojunction photovoltaic devices

    NARCIS (Netherlands)

    Lim, E.; Gao, F.; Schwartz, E.; Cornelissen, J.J.L.M.; Nolte, R.J.M.; Rowan, A.E.; Greenham, N.C.; Do, L.M.

    2012-01-01

    In this work, carbazole-containing polyisocyanide (PIACz) brushes were used for photovoltaic devices. A photovoltaic device was fabricated on top of the brushes by spin-coating a suitable acceptor and evaporating an Al cathode. Devices with a poly(N-vinylcarbazole) (PVK) bulk polymer were also prepa

  12. 9-Ethyl-3,6-diformyl-9H-carbazole

    Directory of Open Access Journals (Sweden)

    Jun Jie Wang

    2008-07-01

    Full Text Available The structure of the title compound, C16H13NO2, was determined as a part of a project on the synthesis of new compounds which can make two-photon absorptions. In the crystal structure, both aldehyde groups are located within the carbazole plane. One of these groups is disordered and was refined using a split model with site-occupation factors for each position of 0.5.

  13. Efficient and Simple Synthesis of 6-Aryl-1,4-dimethyl-9H-carbazoles

    Directory of Open Access Journals (Sweden)

    Sylvain Rault

    2008-06-01

    Full Text Available A synthetic method for the preparation of 6-aryl-1,4-dimethyl-9H-carbazoles involving a palladium catalyzed coupling reaction of 1,4-dimethyl-9H-carbazole-6-boronic acids and (heteroaryl halides is described.

  14. 76 FR 24855 - Carbazole Violet Pigment 23 From India: Rescission of Administrative Review

    Science.gov (United States)

    2011-05-03

    ... Antidumping Duty Order: Carbazole Violet Pigment 23 From India, 69 FR 77988 (December 29, 2004). On January 28... order. See Initiation of Antidumping and Countervailing Duty Administrative Reviews, 76 FR 5137 (January... International Trade Administration Carbazole Violet Pigment 23 From India: Rescission of Administrative...

  15. Synthesis and photoluminescence of a dendritic europium complex with carbazole moieties

    Institute of Scientific and Technical Information of China (English)

    ZHENG Youxuan; ZHOU Yonghui; Gianluca Accorsi; Nicola Armaroli

    2008-01-01

    A novel dendritic europium complex containing grafted carbazole units as functional peripheries was synthesized and characterized. The Forster energy transfer from the peripheries of carbazole units to β-diketonate as well as from the ligands to the central Eu(III) ions in the complex was demonstrated. Under the excitation of carbazole units and β-diketonate, characteristic red emission peaks at 612 nm with four shoulders due to the Eu(III) ion transition of 5D0→7FJ (J=0-4) were observed for the complex.

  16. Synthesis of Carbazole Alkaloids by Ring-Closing Metathesis and Ring Rearrangement-Aromatization.

    Science.gov (United States)

    Dhara, Kalyan; Mandal, Tirtha; Das, Joydeb; Dash, Jyotirmayee

    2015-12-21

    Aprocess for the assembly of carbazole alkaloids has been developed on the basis of ring-closing metathesis (RCM) and ringrearrangement-aromatization (RRA) as the key steps. This method is based on allyl Grignard addition to isatin derivatives to provide smooth access to 2,2-diallyl 3-oxindole derivatives through a 1,2-allyl shift. The diallyl derivatives were used as RCM precursors to afford a novel class of spirocyclopentene-3-oxindole derivatives, which underwent a novel RRA reaction to afford carbazole derivatives. The synthetic sequence to carbazoles was shortened by combining the RCM and RRA steps in an orthogonal tandem catalytic process. The utility of this methodology was further demonstrated by the straightforward synthesis of carbazole alkaloids, including amukonal derivative, girinimbilol, heptaphylline, and bis(2-hydroxy-3-methylcarbazole). PMID:26768698

  17. Synthesis of Novel Derivatives of Carbazole-Thiophene, Their Electronic Properties, and Computational Studies

    Directory of Open Access Journals (Sweden)

    E. F. Damit

    2016-01-01

    Full Text Available A series of carbazole-thiophene dimers, P1–P9, were synthesized using Suzuki-Miyaura and Ullmann coupling reactions. In P1–P9, carbazole-thiophenes were linked at the N-9 position for different core groups via biphenyl, dimethylbiphenyl, and phenyl. Electronic properties were evaluated by UV-Vis, cyclic voltammogram, and theoretical calculations. Particularly, the effects of conjugation connectivity on photophysical and electrochemical properties, as well as the correlation between carbazole-thiophene and the core, were studied. Carbazole connecting with thiophenes at the 3,6-positions and the phenyl group as a core group leads to increased stabilization of HOMO and LUMO energy levels where the bandgap (ΔE is significantly reduced.

  18. Synthesis, spectroscopic, and electrochemical properties of two dyads consisted of tetrathiafulvalene and carbazole

    Institute of Scientific and Technical Information of China (English)

    Guoqiao LAI; Yibo LIU; Meijiang LI; Yongjia SHEN

    2009-01-01

    Two donor-o-acceptor molecules containing tetrathiafulvalene (TTF) and carbazole moieties were synthesized by the reaction of 9-(4-bromo-butyl)-carbazole (1) with 2,6-bis(hexylthio)-3-(2-cyanoethylthio)-7-(methylthio)-tetrathiafulvalene (2) or 2,6-bis(2-cyanoethylthio)-3,7-bis(methylthio)tetrathiafulvalene (3) in the presence of CsOH · H2O, respectively. The structures of the molecules were characterized by 1H NMR, 13C NMR, MS, and elemental analyses. They showed negligible intramolecular charge-transfer interaction in their ground states as indicated by their UV-Vis spectroscopics and cyclic voltammetry results. Compared with carbazole, their fluorescence was strongly quenched, which implied that a photo induced electron transfer (PET) interaction between TTF and carbazole moieties occurred.

  19. Copper catalyzed synthesis of quinolinopyrano[2,3-]carbazole derivatives via Povarov reaction

    Indian Academy of Sciences (India)

    Subburethinam Ramesh; Rajagopal Nagarajan

    2014-07-01

    An efficient procedure for the synthesis of pyranocarbazole derivatives using copper catalysed Povarov reaction between aromatic amines and -propargyl carbazole carboxaldehyde has been developed. Ionic liquid is found to be a good solvent medium.

  20. Novel Blue Light—emitting PPV—based Copolymer Containing Trazole and Carbazole Units

    Institute of Scientific and Technical Information of China (English)

    ZeLIU; LiXiangWANG; 等

    2002-01-01

    A novel alternating conjugated copolymer containing triazole and carbazole units was synthesized by the Witting reaction. The resulting bipolar conjugated polymer emits a pure light with good thermal stability, which is a promising candidate for polymer light emitting display.

  1. Novel Blue Light-emitting PPV-based Copolymer Containing Triazole and Carbazole Units

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A novel alternating conjugated copolymer containing triazole and carbazole units was synthesized by the Wittig reaction. The resulting bipolar conjugated polymer emits a pure light with good thermal stability, which is a promising candidate for polymer light emitting display.

  2. Research on polyfluorene derivatives end-capped by N-hexyl-carbazole and benzene

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Copolymers of 9,9-dioctylfluorene (DOF) and 2-thienyl-benzothiadiazole (DBT) were synthesized by Suzuki reaction and end-capped by N-hexyl-carbazole and benzene, which were abbreviated as PDOF-DBT-Cz and PDOF-DBT-B, respectively. The photophysical, electrochemical and thermal properties of the copolymers were studied. The results indicated that replacement of N-hexyl-carbazole as end-capping group of PDOF-DBT can vary light color and improve luminescence efficiency.

  3. N-[(9-Ethyl-9H-carbazol-3-ylmethylene]-3,4-dimethylisoxazol-5-amine

    Directory of Open Access Journals (Sweden)

    Abdullah Mohamed Asiri

    2010-05-01

    Full Text Available The title compound, N-[(9-ethyl-9H-carbazol-3-ylmethylene]-3,4-dimethylisoxazol-5-amine has been synthesized by reaction of 9-ethyl-9H-carbazole-3-carbaldehyde with 5-amino-3,4-dimethylisoxazole in the presence of acetic acid in ethanol. The structure of this new compound was confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and EI-MS spectral analysis.

  4. Carbazole is a naturally occurring inhibitor of angiogenesis and inflammation isolated from antipsoriatic coal tar

    Energy Technology Data Exchange (ETDEWEB)

    Jack L. Arbiser; Baskaran Govindarajan; Traci E. Battle; Rebecca Lynch; David A. Frank; Masuko Ushio-Fukai; Betsy N. Perry; David F. Stern; G. Tim Bowden; Anquan Liu; Eva Klein; Pawel J. Kolodziejski; N. Tony Eissa; Chowdhury F. Hossain; Dale G. Nagle [Emory University School of Medicine, Atlanta, GA (United States). Department of Dermatology

    2006-06-15

    Coal tar is one of the oldest and an effective treatment for psoriasis. Coal tar has been directly applied to the skin, or used in combination with UV light as part of the Goeckerman treatment. The use of coal tar has caused long-term remissions in psoriasis, but has fallen out of favor because the treatment requires hospitalization and coal tar is poorly acceptable aesthetically to patients. Thus, determining the active antipsoriatic component of coal tar is of considerable therapeutic interest. We fractionated coal tar into its components, and tested them using the SVR angiogenesis inhibitor assay. Treatment of SVR endothelial cells with coal tar fractions resulted in the isolation of a single fraction with antiangiogenic activity. The active antiangiogenic compound in coal tar is carbazole. In addition to antiangiogenic activity, carbazole inhibited the production of inflammatory IL-15 by human mononuclear cells. IL-15 is elevated in psoriasis and is thought to contribute to psoriatic inflammation. Carbazole treatment also reduced activity of inducible nitric oxide synthase (iNOS), which is proinflammatory and elevated in psoriasis. The effect of carbazole on upstream pathways in human psoriasis was determined, and carbazole was shown to inhibit signal transducer and activator of transcription (stat)3-mediated transcription, which has been shown to be relevant in human psoriasis. IL-15, iNOS, and stat3 activation require the activation of the small GTPase rac for optimal activity. Carbazole was found to inhibit rac activation as a mechanism for its inhibition of downstream inflammatory and angiogenic pathways. Given its antiangiogenic and anti-inflammatory activities, carbazole is likely a major component of the antipsoriatic activity of coal tar. Carbazole and derivatives may be useful in the therapy of human psoriasis.

  5. Copper-Catalyzed Oxidative C-H Amination of Tetrahydrofuran with Indole/Carbazole Derivatives.

    Science.gov (United States)

    Yang, Qingjing; Choy, Pui Ying; Fu, Wai Chung; Fan, Baomin; Kwong, Fuk Yee

    2015-11-01

    A simple α-C-H amination of cyclic ether with indole/carbazole derivatives has been accomplished by employing copper(II) chloride/bipy as the catalyst system. In the presence of the di-tert-butyl peroxide oxidant, cyclic ethers such as tetrahydrofuran, 1,4-dioxane, and tetrahydropyran successfully undergo C-H/N-H cross dehydrogenative coupling (CDC) with various carbazole or indole derivatives in good-to-excellent yields. PMID:26485515

  6. [Environmental Behaviors and Ecotoxicology of the Emerging Contaminants Polyhalogenated Carbazoles].

    Science.gov (United States)

    Lin, Kun-de; Chen, Yan-qiu; Yuan, Dong-xing

    2016-04-15

    Polyhalogenated carbazoles (PHCs), with a complex chemical structure similar to polychlorinated dibenzofurans, are a class of emerging environmental organic contaminants. There are 135 congeners for PHCs with a pure halogenation. Most of PHCs are not man-made products. Although PHCs in the environment were firstly discovered in the 1980s, these emerging halogenated compounds were not seriously considered until recent years. Recently, more than 20 PHCs have been detected in sediment and soil samples. In addition, studies have shown that PHCs exhibited dioxin-like toxicity and were persistent and bioaccumulative. Therefore, it is very important to understand the distribution, origins and ecotoxicology of PHCs for a better assessment of their environmental risks. To date, research on the environmental behaviors of PHCs is relatively limited and warrants further investigations. In this review, the environmental distribution, source, analytical methods and toxicity of PHCs were summarized and future research needs were outlined.

  7. 4-Fluoro-N-methyl-N-(1,2,3,4-tetra-hydro-carbazol-3-yl)benzene-sulfonamide

    DEFF Research Database (Denmark)

    Rasmussen, Kaspar Gothardt; Ulven, Trond; Bond, Andrew D

    2009-01-01

    In the title compound, C(19)H(19)FN(2)O(2)S, the hydrogenated six-membered ring of the carbazole unit adopts a half-chair conformation and the plane of the fluoro-phenyl ring forms a dihedral angle of 41.5 (1)° with respect to the carbazole mean plane. The crystal structure is segregated into lay...

  8. 75 FR 26716 - Carbazole Violet Pigment 23 from India: Extension of Time Limit for Final Results of...

    Science.gov (United States)

    2010-05-12

    ... FR 977 (January 7, 2010). This administrative review covers the period January 1, 2007 through... International Trade Administration Carbazole Violet Pigment 23 from India: Extension of Time Limit for Final... administrative review of the countervailing duty order on carbazole violet pigment 23 (CVP-23) from India....

  9. Carbazole-containing light- emitting polymers: Properties of excited states

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A series of light-emitting conjugated polymers alternatively involving carbazole and bivinylene arylene moieties in the main chain were synthesized via Wittig-Horner type copolymerization. The photoinduced charge transfer process relating to these polymers was investigated by using the technique of fluorescence spectroscopy. The interaction between excited copolymers and C60 in benzene solution was studied. The fluorescence quenching can be well described by the "sphere-of-action" mechanism. It is believed that two basic steps are involved in the quenching process, i.e. the diffusion of excitation within the conjugated polymers and the dissociation of the exctions trapped by fullerene. The radius of the sphere-of-action can be related to the excitation diffusion length, which depends on the lifetime of the exciton. The dynamic fluorescence quenching of the copolymers by another quencher, 1,4-dicyanobenzene (DCB) was also surveyed. Copolymers with different chain conformations show different temperature effects in the dynamic quenching. A planar conformation is beneficial for the quenching via bimolecular collision.

  10. Fluorescence excitation spectra of jet-cooled complexes of carbazole and mono-atomic alcohols

    International Nuclear Information System (INIS)

    Fluorescence excitation spectra of jet-cooled complexes of carbazole and one molecule of methyl, deuterated methyl, ethyl and propyl (propanol-1 and propanol-2) alcohols are analyzed. Shifts of the fluorescence excitation spectra of complexes relative to the frequency of a pure electron transition of unbound carbazole are determined. They are formed owing to the hydrogen bonds of the N-H groups of carbazole with the OH-group of alcohols. The frequencies of stretching vibrations of hydrogen groups with various alcohols vary within the range 150-157 cm-1, whereas for the deformation ones the frequencies fall in the interval 21-22.9 cm-1. The belonging of complexes to rotational conformers is determined through the shape of the rotational contours of bands of their pure electronic and electron-vibration transitions. Equilibrium configurations of complexes in the ground state are calculated (authors)

  11. Charge photogeneration and transport in side-chain carbazole polymers and co-polymers

    KAUST Repository

    Li, Huawei

    2011-07-01

    The photoconductivity, hole mobility and charge photogeneration efficiency of a series of side-chain carbazole homopolymers and copolymers (with azo side-chains) have been investigated. Cyclic voltammetry measurement of frontier orbitals energies show that the HOMO energy is determined by the nature and the position of attachment of the linker between the main chain and the carbazole, the azo-moiety being not relevant in this respect. Hole mobility is not influenced by the HOMO energy but seems to depend on the degree of conformational mobility of the side-chains, reaching values of the order of 10-3cm2V-1s-1 in the best cases. The HOMO energy is instead extremely important when considering photogeneration efficiency, that can change by 10 orders of magnitude depending on the density of the carbazole side-chains in co-polymers and on the linker nature and attachment position. © 2011 Elsevier B.V. All rights reserved.

  12. A New Maleamide Bridged Carbazole Chromogenic-sensor Based on Proton Transfer Signaling Mode

    Institute of Scientific and Technical Information of China (English)

    WANG Yue-hong; LIN Hai; SHAO Jie; LIN Hua-kuan

    2008-01-01

    A Maleamide bridged carbazole receptor was designed and synthesized, the interactions between the receptor and anions, such as Ac-, H2PO4-, OH-, F-, Cl-, Br- and I- in DMSO were investigated by UV-Vis spectroscopy and 1H NMR titration. The results of UV-Vis spectral studies indicate that interactions existed between receptor and anions, which induced remarkable color changes. The 1H NMR titration indicated amide moiety of the receptor was deprontonated first when a small quantity of anions such as Ac-, H2PO4-, F- were added; however, the carbazole N-H was gradually deprontonated upon the addition of anions.

  13. Effect of air annealing on the optical electrical and structural properties of carbazole thin films

    Energy Technology Data Exchange (ETDEWEB)

    Pisharady, Sreejith K. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam, Kerala 656560 (India)]. E-mail: skpishar@yahoo.co.in; Menon, C.S. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam, Kerala 656560 (India); Sudarshana Kumar, C. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam, Kerala 656560 (India); Gopinathan, T.G. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam, Kerala 656560 (India)

    2006-11-10

    Thin films of carbazole films have been prepared using vacuum sublimation technique. Post-evaporation annealing is done for various periods of time. The optical absorption spectrum is recorded and the band gap is calculated from the observed spectrum. The current-voltage characteristics are studied for the sandwiched structure of carbazole thin films with silver electrodes. From the J-V characteristics trap density and number of thermally generated charge carriers are determined. Their structure and grain size have been determined from the X-ray diffraction studies.

  14. 75 FR 25209 - Carbazole Violet Pigment 23 from India: Rescission of Administrative Review

    Science.gov (United States)

    2010-05-07

    ... in Part, and Deferral of Initiation of Administrative Review, 75 FR 4770 (January 29, 2010... Review, 75 FR 10759 (March 9, 2010). In this notice we indicated that we would be conducting the changed... International Trade Administration A-533-838 Carbazole Violet Pigment 23 from India: Rescission...

  15. 75 FR 977 - Carbazole Violet Pigment 23 From India: Preliminary Results of Countervailing Duty Administrative...

    Science.gov (United States)

    2010-01-07

    ... Pigment 23 from India, 69 FR 77995 (December 29, 2004) (CVP-23 Order). On December 1, 2008, the Department... Pigment 23 from India, 69 FR 67321 (November 17, 2004), and accompanying Issues and Decision Memorandum... Affirmative Countervailing Duty Determination: Carbazole Violet Pigment 23 From India, 69 FR at 67321....

  16. 75 FR 33243 - Carbazole Violet Pigment 23 From India: Final Results of Countervailing Duty Administrative Review

    Science.gov (United States)

    2010-06-11

    ... India: Preliminary Results of Countervailing Duty Administrative Review, 75 FR 977 (January 7, 2010... Administrative Review, 75 FR 26716 (May 12, 2010). Scope of the Order The merchandise covered by this order is... International Trade Administration Carbazole Violet Pigment 23 From India: Final Results of Countervailing...

  17. 75 FR 38076 - Carbazole Violet Pigment 23 from India: Final Results of Antidumping Duty Administrative Review

    Science.gov (United States)

    2010-07-01

    ... Pigment 23 from India: Preliminary Results of Antidumping Duty Administrative Review, 74 FR 68038... Value and Antidumping Duty Order: Carbazole Violet Pigment 23 From India, 69 FR 77988 (December 29, 2004...: Assessment of Antidumping Duties, 68 FR 23954 (May 6, 2003). The Department intends to issue...

  18. Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes.

    Science.gov (United States)

    Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu

    2016-09-01

    An unprecedented gold-catalyzed synthetic method for the direct assembly of aryl-annulated carbazoles from 2-alkynyl arylazides and alkynes is described. The reaction is proposed to proceed via a sequential cyclopropenation and intramolecular metal carbene/arene Friedel-Crafts-type reaction, respectively, mediated by two gold carbene intermediates. PMID:27529360

  19. 75 FR 27815 - Carbazole Violet Pigment 23 From China and India; Determinations

    Science.gov (United States)

    2010-05-18

    ... (74 FR 56663) and determined on February 5, 2010 that it would conduct expedited reviews (75 FR 14468... China and India; Determinations On the basis of the record \\1\\ developed in the subject five-year... on carbazole violet pigment 23 from India would be likely to lead to continuation or recurrence...

  20. 75 FR 34699 - Carbazole Violet Pigment 23 from India: Rescission of Countervailing Duty Administrative Review

    Science.gov (United States)

    2010-06-18

    ... Investigation; Opportunity To Request Administrative Review, 74 FR 62743 (December 1, 2009). On December 31... Initiation of Administrative Review, 75 FR 4770 (January 29, 2010). Rescission of Countervailing Duty... International Trade Administration Carbazole Violet Pigment 23 from India: Rescission of Countervailing...

  1. Synthesis of Dendrimer Containing Carbazole Unit as a Core Chromophore

    International Nuclear Information System (INIS)

    for the synthesis of Frechet-type dendrimers having a carbazole unit at core, which will be soluble in common organic solvents and easily spin-coated with high quality optical thin films

  2. Molecular Recognition of the Antiretroviral Drug Abacavir: Towards the Development of a Novel Carbazole-Based Fluorosensor

    OpenAIRE

    Idzik, Krzysztof Ryszard; Cywinski, Piotr J.; Cranfield, Charles G.; Mohr, Gerhard J.; Beckert, Rainer

    2011-01-01

    Due to their optical and electro-conductive attributes, carbazole derivatives are interesting materials for a large range of biosensor applications. In this study, we present the synthesis routes and fluorescence evaluation of newly designed carbazole fluorosensors that, by modification with uracil, have a special affinity for antiretroviral drugs via either Watson–Crick or Hoogsteen base pairing. To an N-octylcarbazole-uracil compound, four different groups were attached, namely thiophene, f...

  3. Crystal structure of dimethyl 9H-carbazole-2,7-di-carb-oxy-late.

    Science.gov (United States)

    Lehane, Ryan L; Golen, James A; Rheingold, Arnold L; Manke, David R

    2015-10-01

    In the title compound, C16H13NO4, the carbazole ring system is almost planar with non-H atoms possessing a mean deviation from planarity of 0.037 Å. The two ester groups are orientated trans to one another and tilted slightly from the mean plane of the carbazole ring system, making dihedral angles of 8.12 (6) and 8.21 (5)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds forming inversion dimers. The dimers are linked by parallel slipped π-π inter-actions, forming slabs propagating along the b-axis direction [inter-centroid distance = 3.6042 (8) Å, inter-planar distance = 3.3437 (5) Å, slippage = 1.345 Å]. PMID:26594478

  4. 1H and 15N Dynamic Nuclear Polarization Studies of Carbazole

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Jian Zhi; Solum, Mark S.; Wind, Robert A.; Nilsson, Brad L.; Peterson, Matt A.; Pugmire, Ronald J.; Grant, David M.

    2000-01-01

    15N NMR experiments, combined with dynamic nuclear polarization (DNP), are reported on carbazole doped with the stable free radical 1,3 bisdiphenylene-2 phenylally1 (BDPA). Doping shortens the nuclear relaxation times and provides paramagnetic centers that can be used to enhance the nuclear signal by means of DNP so that 15 N NMR experiments can be done in minutes. The factors were measured in a 1.4 T external field, using both unlabeled and 98% 15N labeled carbazole with doping levels varying between 0.65 and 5.0 wt % BDPA. A doping level of approximately 1 wt % produced optimal results. DNP enhancement factors of 35 and 930 were obtained for 1H and 15N, respectively making it possible to perform 15N DNP NMR experiments at the natural abundance level.

  5. 3-Bromomethyl-4-methoxy-2-(2-nitrophenyl-9-phenylsulfonyl-9H-carbazole

    Directory of Open Access Journals (Sweden)

    S. Gopinath

    2014-06-01

    Full Text Available In the title compound, C26H19BrN2O5S, the carbazole tricycle is essentially planar, with the largest deviation being 0.126 (3 Å for the C atom connected to the nitrophenyl group. The carbazole moiety is almost orthogonal to the benzene rings of the adjacent phenylsulfonyl and nitrophenyl groups, making dihedral angles of 85.43 (15 and 88.62 (12°, respectively. The molecular conformation is stabilized by two C—H...O hydrogen bonds involving the sulfone group, which form similar six-membered rings. In the crystal, molecules symmetrically related by a glide plane are linked in C(6 chains parallel to [001] by C—H...O hydrogen bonds formed with the participation of the nitro group. The chains are reinforced by additional C—H...π interactions.

  6. Highly Selective Fluoride Recognition by a Simple Carbazole-based Hydrozone Derivative

    Institute of Scientific and Technical Information of China (English)

    TANG Li-jun; ZHAO Guo-you; HUANG Zhen-long; WANG Nan-nan; GUO Jiao-jiao

    2013-01-01

    A simple carbazole hydrozone derivative(1) was synthesized and used as an optical probe for fluoride recognition in CH3CN.Receptor 1 exhibited colorimetric and fluorescent dual-channel response to fluoride anions.Addition of fluoride to a receptor 1 solution in CH3CN induced a distinct color change from yellow to magenta,the solution also displayed significant fluorescence blue shift.Thus receptor 1 exhibited dual-channel responses to fluoride with a high selectivity and sensitivity.

  7. Ruthenium(II) dendrimers containing carbazole-based chromophores as branches

    OpenAIRE

    McClenaghan, ND; Passalacqua, R; Loiseau, F; Campagna, S; Verheyde, B; Hameurlaine, Ahmed; Dehaen, Wim

    2003-01-01

    Three new luminescent and redox-active Ru(II) complexes containing novel dendritic polypyridine ligands have been synthesized, and their absorption spectra, luminescence properties (both at room temperature in fluid solution and at 77 K in rigid matrix), and redox behavior have been investigated. The dendritic ligands are made of 1,10-phenanthroline coordinating subunits and of carbazole groups as branching sites, The first and second generation species of this novel class of dendritic ligand...

  8. Electrochemical impedance of poly(9-tosyl-9H-carbazole-co-pyrrole) electrocoated carbon fiber

    Energy Technology Data Exchange (ETDEWEB)

    Ates, Murat; Uludag, Nesimi [Department of Chemistry, Faculty of Arts and Sciences, Namik Kemal University, Degirmenalti Campus, 59030, Tekirdag (Turkey); Sarac, A. Sezai, E-mail: sarac@itu.edu.tr [Department of Chemistry, Polymer Science and Technology, Istanbul Technical University, Maslak, 34469, Istanbul (Turkey)

    2011-05-16

    Research highlights: {yields} Impedance study of poly(9-tosyl-9H-carbazole-co-pyrrole) electrocoated carbon fiber. {yields} Copolymer of 9-tosyl-9H-carbazole and pyrrole were electrocoated on carbon fiber. {yields} Impedance spectroscopy and circuit models of poly(9-tosyl-9H-carbazole-co-pyrrole). - Abstract: In this paper, copolymer of 9-tosyl-9H-carbazole (TCz) and pyrrole (Py) comonomers were electrochemically deposited onto carbon fiber micro electrode (CFME) as an active electrode material. An electrochemical impedance study on the prepared electrodes is reported. Poly(TCz-co-Py)/CFME is characterized by cyclic voltammetry (CV), Fourier transform infrared reflectance-attenuated total reflection spectroscopy (FTIR-ATR), scanning electron microscopy-energy dispersive X-ray analysis (SEM-EDX), and electrochemical impedance spectroscopy (EIS). Capacitive behaviors of modified CFMEs were defined via Nyquist, Bode-magnitude and Bode-phase plots. An examination is made of which equivalent circuits of R(C(R(Q(RW)))) and R(C(R(Q(RW))))(CR) used for modeling the system. The effect of monomer ratio (mole fraction, X{sub TCz} = n{sub TCz}/n{sub TCz} + n{sub Py}) on the formation of copolymer is reported in 0.1 M sodium perchlorate (NaClO{sub 4})/acetonitrile (ACN) solution. The inclusion of TCz in the copolymer structure was also confirmed by FTIR-ATR, SEM, and CV measurements. The highest low frequency capacitance (C{sub LF} = 22.7 for R(C(R(Q(RW)))) and C{sub LF} = 22.6 mF cm{sup -2} for R(C(R(Q(RW))))(CR)) were obtained for X{sub TCz} = 0.91.

  9. Synthesis and characterization of poly(carbazole ethyl methacrylate) and its electrodeposition on ITO

    International Nuclear Information System (INIS)

    Poly(ethyl methacrylate) functionalized with pendant carbazole moieties was synthesized via reversible addition fragmentation chain-transfer (RAFT) polymerization. Structural characteristics of the homopolymers were studies using Fourier-transform Infrared (FT-IR) and proton nuclear magnetic resonance (“1H-NMR). Gel permeation chromatography (GPC) was utilized to determine the molecular weight and showed an average of 27,000 g/mol. To determine the carbazole pendants of poly(ethyl methacrylate), cylic voltammetry was employed. This was done by sweeping the potential across the three electrode system form 0-1.4V with indium tin oxide (ITO) coated glass slide serving as the working electrode. The structure and optical characteristics of the electrodeposited polycarbazole film were then observed using UV-Vis and FT-IR spectroscopy, respectively. Scanning electron microscopy (SEM) was used to investigate the surface morphology of the film while its thickness was measured using spectroscopic ellipsometry. Atomic force microscopy (AFM) was also employed to determine the surface roughness and topography of the film. Investigation of the characteristics of electropolymerized carbazole film may lead to interesting electrochromic properties, alternative materials in electro-optical devices and may have potential application in organic photovoltaic devices (OPVs). (author)

  10. N-Alkyl Carbazole Derivatives as New Tools for Alzheimer’s Disease: Preliminary Studies

    Directory of Open Access Journals (Sweden)

    Carmela Saturnino

    2014-07-01

    Full Text Available Alzheimer’s disease (AD is a progressive and age-related neurodegenerative disorder affecting brain cells and is the most common form of “dementia”, because of the cognitive detriment which takes place. Neuronal disruption represents its major feature, due to the cytosolic accumulation of amyloid β-peptide (Aβ which leads to senile plaques formation and intracellular neurofibrillary tangles. Many studies have focused on the design and therapeutic use of new molecules able to inhibit Aβ aggregation. In this context, we evaluated the ability of two recently synthesized series of N-alkyl carbazole derivatives to increase the Aβ soluble forms, through molecular docking simulations and in vitro experiments. Our data evidenced that two carbazole derivatives, the most active, adopt distinct binding modes involving key residues for Aβ fibrillization. They exhibit a good interfering activity on Aβ aggregation in mouse (N2a cells, stably expressing wild-type human amyloid precursor protein (APP 695. These preliminary results are promising and we are confident that the N-alkyl carbazole derivatives may encourage next future studies needed for enlarging the knowledge about the AD disease approach.

  11. Synthesis and Properties of 1,8-Carbazole-Based Conjugated Copolymers

    Directory of Open Access Journals (Sweden)

    Tsuyoshi Michinobu

    2010-07-01

    Full Text Available A new series of conjugated carbazole polymers based on the 1,8-carbazolylene unit was synthesized by the Pd-catalyzed polycondensation between the 1,8-diiodocarbazole derivative and various bifunctional counter comonomers. An alkyne spacer was found to be a key to increasing the molecular weight of the resulting polymers. All the obtained polymers showed good solubilities in the common organic solvents, and they were fully characterized by Gel permeation chromatography (GPC, and 1H NMR and infrared (IR spectroscopies. The UV-vis absorption and fluorescence spectra revealed the relationship between the chemical structure and effective conjugation length. The efficiency order of the carbazole connectivity was 2,7-carbazolylene > 1,8-carbazolylene > 3,6-carbazolylene. The electrochemical properties of these polymers suggested the relatively facile oxidation at ca. +0.5–0.7 V vs. Fc/Fc+ or a high potential as p-type semiconductors. The combination of the electrochemical oxidation potentials and the optical band gaps allowed us to estimate the HOMO and LUMO levels of the polymers. It was shown that the energy levels of the 1,8-carbazole-based conjugated polymers can be tunable by selecting the appropriate comonomer structures.

  12. Carbazole-based sensitizers for potential application to dye sensitized solar cells

    Indian Academy of Sciences (India)

    Naresh Duvva; Ravi Kumar Kanaparthi; Jaipal Kandhadi; Gabriele Marotta; Paolo Salvatori; Filippo De Angelis; Lingamallu Giribabu

    2015-03-01

    Two push-pull molecules employing carbazole and alkyl thiophene (CAR-THIOHX) or carbazole and triphenylamine (CAR-TPA) as donor moieties, with the cyanoacrylic group as the acceptor, have been designed and synthesized by simple organic transformations. Photophysical and electrochemical studies revealed the potential of these two systems in dye sensitized solar cells (DSSC). Under standard irradiation conditions, CAR-TPA and CAR-THIOHX exhibited 2.12 and 1.83% of overall power conversion efficiencies respectively. The moderate photovoltaic efficiency of the sensitizers has been attributed to the poor light absorption of the sensitizers in the visible region. Density functional theory (DFT) calculations have shown a strong intramolecular charge transfer character, with the HOMOs of both the sensitizers exclusively localized on the corresponding donor moieties and LUMOs on the cyanoacrylic acid acceptor. On the other hand, the calculated high dihedral angle between the carbazole donor and the phenyl bridge for these sensitizers impedes the conjugation along the dyes backbone, and thus leads to less extended and intense absorption spectra in the visible region.

  13. 3,6-Carbazole vs 2,7-carbazole: A comparative study of hole-transporting polymeric materials for inorganic–organic hybrid perovskite solar cells

    Science.gov (United States)

    Li, Wei; Otsuka, Munechika; Wang, Yang; Mori, Takehiko

    2016-01-01

    Summary The ever increasing demand for clean energy has encouraged researchers to intensively investigate environmentally friendly photovoltaic devices. Inorganic–organic hybrid perovskite solar cells (PSCs) are very promising due to their potentials of easy fabrication processes and high power conversion efficiencies (PCEs). Designing hole-transporting materials (HTMs) is one of the key factors in achieving the high PCEs of PSCs. We now report the synthesis of two types of carbazole-based polymers, namely 3,6-Cbz-EDOT and 2,7-Cbz-EDOT, by Stille polycondensation. Despite the same chemical composition, 3,6-Cbz-EDOT and 2,7-Cbz-EDOT displayed different optical and electrochemical properties due to the different connectivity mode of the carbazole unit. Therefore, their performances as hole-transporting polymeric materials in the PSCs were also different. The device based on 2,7-Cbz-EDOT showed better photovoltaic properties with the PCE of 4.47% than that based on 3,6-Cbz-EDOT. This could be due to its more suitable highest occupied molecular orbital (HOMO) level and higher hole mobility.

  14. 3,6-Carbazole vs 2,7-carbazole: A comparative study of hole-transporting polymeric materials for inorganic–organic hybrid perovskite solar cells

    Science.gov (United States)

    Li, Wei; Otsuka, Munechika; Wang, Yang; Mori, Takehiko

    2016-01-01

    Summary The ever increasing demand for clean energy has encouraged researchers to intensively investigate environmentally friendly photovoltaic devices. Inorganic–organic hybrid perovskite solar cells (PSCs) are very promising due to their potentials of easy fabrication processes and high power conversion efficiencies (PCEs). Designing hole-transporting materials (HTMs) is one of the key factors in achieving the high PCEs of PSCs. We now report the synthesis of two types of carbazole-based polymers, namely 3,6-Cbz-EDOT and 2,7-Cbz-EDOT, by Stille polycondensation. Despite the same chemical composition, 3,6-Cbz-EDOT and 2,7-Cbz-EDOT displayed different optical and electrochemical properties due to the different connectivity mode of the carbazole unit. Therefore, their performances as hole-transporting polymeric materials in the PSCs were also different. The device based on 2,7-Cbz-EDOT showed better photovoltaic properties with the PCE of 4.47% than that based on 3,6-Cbz-EDOT. This could be due to its more suitable highest occupied molecular orbital (HOMO) level and higher hole mobility. PMID:27559390

  15. 3,6-Carbazole vs 2,7-carbazole: A comparative study of hole-transporting polymeric materials for inorganic-organic hybrid perovskite solar cells.

    Science.gov (United States)

    Li, Wei; Otsuka, Munechika; Kato, Takehito; Wang, Yang; Mori, Takehiko; Michinobu, Tsuyoshi

    2016-01-01

    The ever increasing demand for clean energy has encouraged researchers to intensively investigate environmentally friendly photovoltaic devices. Inorganic-organic hybrid perovskite solar cells (PSCs) are very promising due to their potentials of easy fabrication processes and high power conversion efficiencies (PCEs). Designing hole-transporting materials (HTMs) is one of the key factors in achieving the high PCEs of PSCs. We now report the synthesis of two types of carbazole-based polymers, namely 3,6-Cbz-EDOT and 2,7-Cbz-EDOT, by Stille polycondensation. Despite the same chemical composition, 3,6-Cbz-EDOT and 2,7-Cbz-EDOT displayed different optical and electrochemical properties due to the different connectivity mode of the carbazole unit. Therefore, their performances as hole-transporting polymeric materials in the PSCs were also different. The device based on 2,7-Cbz-EDOT showed better photovoltaic properties with the PCE of 4.47% than that based on 3,6-Cbz-EDOT. This could be due to its more suitable highest occupied molecular orbital (HOMO) level and higher hole mobility. PMID:27559390

  16. Carbazole-degradative IncP-7 plasmid pCAR1.2 is structurally unstable in Pseudomonas fluorescens Pf0-1, which accumulates catechol, the intermediate of the carbazole degradation pathway.

    Science.gov (United States)

    Takahashi, Yurika; Shintani, Masaki; Li, Li; Yamane, Hisakazu; Nojiri, Hideaki

    2009-06-01

    We determined the effect of the host on the function and structure of the nearly identical IncP-7 carbazole-degradative plasmids pCAR1.1 and pCAR1.2. We constructed Pseudomonas aeruginosa PAO1(pCAR1.2) and P. fluorescens Pf0-1Km(pCAR1.2) and compared their growth on carbazole- and succinate-containing media with that of P. putida KT2440(pCAR1.1). We also assessed the stability of the genetic structures of the plasmids in each of the three hosts. Pf0-1Km(pCAR1.2) showed dramatically delayed growth when carbazole was supplied as the sole carbon source, while the three strains grew at nearly the same rate on succinate. Among the carbazole-grown Pf0-1Km(pCAR1.2) cells, two types of deficient strains appeared and dominated the population; such dominance was not observed in the other two strains or for succinate-grown Pf0-1Km(pCAR1.2). Genetic analysis showed that the two deficient strains possessed pCAR1.2 derivatives in which the carbazole-degradative car operon was deleted or its regulatory gene, antR, was deleted by homologous recombination between insertion sequences. From genomic information and quantitative reverse transcription-PCR analyses of the genes involved in carbazole mineralization by Pf0-1Km(pCAR1.2), we found that the cat genes on the chromosome of Pf0-1Km, which are necessary for the degradation of catechol (a toxic intermediate in the carbazole catabolic pathway), were not induced in the presence of carbazole. The resulting accumulation of catechol may have enabled the strain that lost its carbazole-degrading ability to have overall higher fitness than the wild-type strain. These results suggest that the functions of the chromosomal genes contributed to the selection of plasmid derivatives with altered structures.

  17. Effect of Substituents on the Electronic Structure and Degradation Process in Carbazole Derivatives for Blue OLED Host Materials

    KAUST Repository

    Hong, Minki

    2016-07-25

    We investigate the dissociation mechanism of the C-N bond between carbazole and dibenzothiophene in carbazole-dibenzothiophene (Cz-DBT) positional isomers, selected as representative systems for blue host materials in organic light-emitting diodes (OLEDs). The C-N bond dissociation energies, calculated at the density functional theory level, are found to depend strongly on the charge states of the parental molecules. In particular, the anionic C-N bond dissociations resulting in a carbazole anion can have low dissociation energies (∼1.6 eV) with respect to blue emission energy. These low values are attributed to the large electron affinity of the carbazole radical, a feature that importantly can be modulated via substitution. Substitution also impacts the energies of the first excited electronic states of the Cz-DBT molecules since these states have an intramolecular charge-transfer nature due to the spatially localized character of the frontier molecular orbitals within the carbazole moiety (for the HOMO) and the dibenzothiophene moiety (for the LUMO). The implications of these results must be considered when designing blue OLED hosts since these materials must combine chemical stability and high triplet energy. © 2016 American Chemical Society.

  18. Synthese von TiO2-Nanopartikeln und Carbazol-Farbstoffderivaten für optische Anwendungen in anorganisch-organischen Hybridpolymeren

    OpenAIRE

    Rettenmaier, Jürgen

    2002-01-01

    Die Arbeit hatte das Ziel, Beiträge zur Synthese photorefraktiver Nanokomposite durch die geschickte Kombination spezieller organischer Farbstoffe mit elektronenleitenden, anorganischen Nanopartikeln oder mit lochleitenden Carbazol-Derivaten in hybriden Polymeren zu leisten. Dabei wurden grundlegende Erkenntnisse auf folgenden Gebieten erzielt: > TiO2-Nanopartikel als anorganische Elektronenleiter > Carbazol-Derivate als organische Lochleiter > Metallkomplex-Farbstoffe als Photosensibilisator...

  19. Synthesis and characterization of aromatic and aliphatic ether bridged polymers containing carbazole moieties

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, İsmet, E-mail: kayaismet@hotmail.com; Temizkan, Kevser; Aydın, Aysel

    2013-08-01

    Graphical abstract: Novel ether bridged polymers containing carbazole moieties were synthesized via elimination of HBr. Fluorescence measurements of the polymers were performed using N,N′-dimethyl formamide solutions. The morphologic properties of the polymers were investigated by using Scanning Electron Microscopy. Thermal stabilities were determined TGA measurements. -- Highlights: • Novel ether bridged polymers containing carbazole moieties were synthesized via elimination of HBr. • Fluorescence measurements of the polymers were performed using DMF solutions. • The morphologic properties of the polymers were investigated by using Scanning Electron Microscopy. • Thermal stabilities were determined TGA measurements. -- Abstract: In this study, the polymers were synthesized ether bridged containing carbazole moieties via HBr elimination. Also, these polymers include the aliphatic chains at the different lengths and aromatic groups in their structures. However, the polymers were characterized by FT-IR, NMR and UV–vis spectroscopy, and their thermal stabilities were determined via TGA measurements. Fluorescence measurements were performed using N,N′-dimethyl formamide solutions and also, the optimization of the concentrations to obtain maximal emission intensity was investigated in N,N′-dimethyl formamide. The morphologic properties of the polymers were investigated at different particle sizes by using Scanning Electron Microscopy (SEM). Additionally, the number average molecular weight (M{sub n}), weight average molecular weight (M{sub w}) and polydispersity index (PDI) values of the polymers were determined by size exclusion chromatography (SEC) technique. Resultantly, the remarkable properties related to the fluorescence and thermal measurements of the polymers were obtained. Therefore, these polymers could be used in various application fields because of the fluorescent and thermal properties.

  20. The thermodynamic properties of 2-aminobiphenyl (an intermediate in the carbazole/hydrogen reaction network)

    Energy Technology Data Exchange (ETDEWEB)

    Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.

    1990-12-01

    Catalytic hydrodenitrogenation (HDN) is a key step in upgrading processes for conversion of heavy petroleum, shale oil, tar sands, and the products of the liquefaction of coal to economically viable products. This research program provides accurate experimental thermochemical and thermophysical properties for key organic nitrogen-containing compounds present in the range of alternative feedstocks, and applies the experimental information to thermodynamic analyses of key HDN reaction networks. This report is the first in a series that will lead to an analysis of a three-ring HDN system; the carbazole/hydrogen reaction network. 2-Aminobiphenyl is the initial intermediate in the HDN pathway for carbazole, which consumes the least hydrogen possible. Measurements leading to the calculation of the ideal-gas thermodynamic properties for 2-aminobiphenyl are reported. Experimental methods included combustion calorimetry, adiabatic heat-capacity calorimetry, comparative ebulliometry, inclined-piston gauge manometry, and differential-scanning calorimetry (d.s.c). Entropies, enthalpies, and Gibbs energies of formation were derived for the ideal gas for selected temperatures between 298.15 K and 820 K. The critical temperature and critical density were determined for 2-aminobiphenyl with the d.s.c., and the critical pressure was derived. The Gibbs energies of formation are used in thermodynamic calculations to compare the feasibility of the initial hydrogenolysis step in the carbazole/H{sub 2} network with that of its hydrocarbon and oxygen-containing analogous; i.e., fluorene/H{sub 2} and dibenzofuran/H{sub 2}. Results of the thermodynamic calculations are compared with those of batch-reaction studies reported in the literature. 57 refs., 8 figs., 18 tabs.

  1. New materials based on carbazole for optoelectronic device applications:Theoretical investigation

    Institute of Scientific and Technical Information of China (English)

    K.Hasnaoui; H.Zgou; M.Hamidi; M.Bouachrine

    2008-01-01

    A quantum-chemical investigation on the structural and optoelectronic properties of two materials based on carbazole is carried out.The purpose is to display the effect of grafting the fluorine atoms on their optoelectronic and pbysico-chemical properties.In addition to solubility in the polar solvents and the modification in geometric parameters,the substitution of fluorine destabilizes the HOMO and LUMO levels,decreases the band gap energy and raises conjugation length.These properties suggest the substituted fluorine compound as a good candidate for optoelectronic applications.

  2. Theoretical study on alkyne-linked carbazole polymers for blue-light multifunctional materials

    International Nuclear Information System (INIS)

    This paper studied poly[(3,6-di-tert-butyl-N-hexadecyl-1,8-carbazolylene) butadiynylene] (P1), butadiynylene-linked poly (3,6-carbazole) (P2) and butadiynylene-linked poly (2,7-carbazole) (P3) through the theoretical measurements with Gaussian 03 program package. To investigate the relationship between structures and properties of these multifunctional electroluminescent materials, their geometrical structures of ground and excited-states were optimized by B3LYP/6-31G (d) and CIS/6-31G (d) methods, respectively. The lowest excitation energies (Eg's), and the maximum absorption and emission wavelengths of these polymers were calculated by time-dependent density functional theory methods (TD-DFT). The important parameters for luminescent materials were also predicated including the ionization potentials (Ip's) and electron affinities (Ea's). The calculated results show that the highest-occupied molecular orbital (HOMO) energies lift about 0.27-0.49 eV compared to N,N'-bis(naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPB), suggesting the significant improved hole-accepting and transporting abilities. In addition, substitution of alkyne for carbazole resulted in a narrow band gap and a red shift of both the absorption and emission peaks. Through above calculations, it is evidenced that these polymers can be considered as candidates for excellent OLEDs with good hole-creating abilities and high blue-light emission. - Highlights: → We studied poly [(3,6-di-tert-butyl-N-hexadecyl-1,8-carbazolylene) butadiynylene] by theoretical method. → The geometrical structures of ground and excited-states had been optimized by B3LYP/6-31G (d) and CIS/6-31G (d). → The relationship between structures and properties of these multifunctional electroluminescent materials had been investigated. → These molecules are excellent candidates for multifunctional OLED materials. → The substitution of alkyne for carbazole results in a narrow band gap and a red shift of both the

  3. Synthesis of two carbazole-based dyes and application of two-photon initiating polymerization

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Two carbazole-based polymerization initiators possessing blue fluorescence emission have been synthesized via Wittig reaction in the solid phase at room temperature.Two-photon excited fluorescence(TPEF) spectra for them were investigated under 800 nm fs laser pulse and two-photon absorption cross sections were determined by the Z-scan technique.Then two-photon initiating polymerization(TPIP) microfabrication experiments were successfully carried out.Three-dimensional lattice and artificial defects were gained,indicating that they were viable candidates for the two-photon polymerization initiator in practical application of microfabrication.

  4. Synthesis of two carbazole-based dyes and application of two-photon initiating polymerization

    Institute of Scientific and Technical Information of China (English)

    HU RenTao; LU LiangFei; RUAN BanFeng; WANG Peng; ZHANG MingLiang; ZHOU HongPing; LI ShengLi; WU JieYing; TIAN YuPeng

    2009-01-01

    Two carbazole-based polymerization initiators possessing blue fluorescence emission have been synthesized via Wittig reaction in the solid phase at room temperature.Two-photon excited fluorescence (TPEF) spectra for them were investigated under 800 nm fs laser pulse and two-photon absorption cross sections were determined by the Z-scan technique.Then two-photon initiating polymerization (TPIP) microfabrication experiments were successfully carried out.Three-dimensional lattice and artificial defects were gained,indicating that they were viable candidates for the two-photon polymerization initiator in practical application of microfabrication.

  5. Second harmonic generation spectroscopy of p-cresol and carbazole on SiO 2 surfaces

    Science.gov (United States)

    van Wyck, N. E.; Koenig, E. W.; Byers, J. D.; Hetherington, W. M., III

    1985-11-01

    Surface second harmonic generation (SHG) has been developed as a surface specific type of electronic spectroscopy. The surface second-order susceptibility χ (2) is enhanced by the adsorption of molecules, and an electronic spectrum can be generated by scanning the dye laser through the two-photon resonances of the adsorbate. The spectra of p-cresol ionically and covalently bound to SiO 2 and of carbazole covalently bound to SiO 2 have been obtained. Weakly bound molecules such as hydrogen-bonded cresol, phenol and aniline as well as pyridine are rapidly desorbed by the competitive process of two-photon absorption.

  6. Miscibility and Molecular Orientation of Carbazole in Mixed Langmuir and Langrnuir-Blodgett Films

    Institute of Scientific and Technical Information of China (English)

    Md. N. Islam; D. Bhattacharjee; S. A. Hussain

    2007-01-01

    We report the miscibility and molecular orientation of carbazole (CA) molecules in the mixed Langmuir and Langmuir-Blodgett (LB) films of CA in polymethyl methacrylate (PMMA) and stearic acid (SA) matrices. The r-A isotherm confirms the formation of stable Langmuir films of CA mixed with either PMMA or SA at airwater interface. Characteristics of area per molecule versus molefraction and collapse pressure versus molefraction reveal complete demixing of CA and the matrix PMMA/SA molecules in the mixed films. Absorption spectroscopy certainly confirms the fact that CA molecules have preferred orientation on the substrate of the LB films.

  7. Novel N-acyl-carbazole derivatives as 5-HT7R antagonists.

    Science.gov (United States)

    Kim, Youngjae; Yeom, Miyoung; Tae, Jinsung; Rhim, Hyewhon; Choo, Hyunah

    2016-03-01

    To discover a novel 5-HT7R antagonist for treatment of depression, we designed N-acyl-carbazole derivatives which were synthesized and biologically evaluated against 5-HT7R. Among total 30 compounds synthesized, four compounds 27-30 showed good binding affinities with Ki values of <100 nM. The compound 28, 1-(9H-carbazol-9-yl)-6-(4-(2-methoxyphenyl)piperazin-1-yl)hexan-1-one, showed good selectivity over other serotonin receptor subtypes and turned out to be a novel selective 5-HT7R antagonist following functional assays. The compound 28 showed moderate activity on hERG channel and good stability in microsomal stability test. The compound 28 exhibited a good pharmacokinetic profile with 67.8% oral bioavailability and good penetration to the brain. The compound 28 was also tested in in vivo depression animal model and showed antidepressant effect in the forced swimming test. Therefore, the selective 5-HT7R antagonist 28 can be considered as a good lead for discovery of novel 5-HT7R antagonists as antidepressants. PMID:26852005

  8. A combined experimental and theoretical investigation of imidazole–carbazole fluorophores

    Energy Technology Data Exchange (ETDEWEB)

    Nagarajan, N.; Velmurugan, G.; Prabhu, G.; Venuvanalingam, P.; Renganathan, R., E-mail: rrengas@gmail.com

    2014-03-15

    Two different tri and tetra substituted imidazole derivatives connected with carbazole moiety were synthesized by using Vilsmeier–Haack formylation followed by multicomponent cyclisation reaction. Results obtained from spectroscopic ({sup 1}H NMR, {sup 13}C NMR, Mass) and single crystal X-ray diffraction analysis of synthesized compound revealed its chemical structure. UV–vis and photoluminescence studies in various solvents with different polarity demonstrated that these compounds were sensitive to the polarity of the microenvironment in the excited state. Results of TGA and AFM analysis demonstrated that the compounds exhibited good thermal and morphological stabilities over very harsh conditions. DFT calculations were performed to elucidate the structural and electrochemical properties of these compounds. The computed result revealed the ground state of the molecules was majorly stabilized by σ→σ{sup ⁎} interaction and the natural hybrid orbital compositions and occupancies predict that the bonding interactions between C and N centers possess pure σ bond with sp{sup 2} hybridization. -- Highlights: • Highly fluorescent imidazole–carbazole derivatives were synthesized and characterised. • Effect of solvent polarity on absorption and emission spectra were analysed. • Thermal and morphological stabilities of the compounds were analysed. • DFT calculations have been performed to elucidate the structural properties.

  9. Smart windows application of carbazole and triazine based star shaped architecture.

    Science.gov (United States)

    Guzel, Merve; Soganci, Tugba; Ayranci, Rukiye; Ak, Metin

    2016-08-01

    A novel triazine-based, star shape and electroactive monomer, 2,4,6-tris(2-(9H-carbazol-9-yl)ethoxy)-1,3,5-triazine (TCZ) which contains 2,4,6-trichloro-1,3,5-triazine as the core and 2-(9H-carbazol-9-yl)ethanol as the arms, was successfully synthesized. After electrochemical polymerization of the TCZ monomer, called PTCZ, the polymer shows superior optoelectronic and thermal properties due to its unique three-dimensional shape and highly-branched structure in comparison with linear analogues. Electrochromic studies exhibited that PTCZ has turquoise color in the oxidized state and is transparent in the neutral state. Due to the fact that the redox color characteristics of PTCZ are indispensable for smart windows, a PTCZ-based electrochromic device was formed with PEDOT as complementary coloring material. A potential range of -1.5 to +1.8 V was determined to be suitable for operating the PTCZ/PEDOT device between transparent and blue colors. Characterizations of the device were performed in term of switching times, optical contrast, optical memory and redox stability. PMID:27431786

  10. Smart windows application of carbazole and triazine based star shaped architecture.

    Science.gov (United States)

    Guzel, Merve; Soganci, Tugba; Ayranci, Rukiye; Ak, Metin

    2016-08-01

    A novel triazine-based, star shape and electroactive monomer, 2,4,6-tris(2-(9H-carbazol-9-yl)ethoxy)-1,3,5-triazine (TCZ) which contains 2,4,6-trichloro-1,3,5-triazine as the core and 2-(9H-carbazol-9-yl)ethanol as the arms, was successfully synthesized. After electrochemical polymerization of the TCZ monomer, called PTCZ, the polymer shows superior optoelectronic and thermal properties due to its unique three-dimensional shape and highly-branched structure in comparison with linear analogues. Electrochromic studies exhibited that PTCZ has turquoise color in the oxidized state and is transparent in the neutral state. Due to the fact that the redox color characteristics of PTCZ are indispensable for smart windows, a PTCZ-based electrochromic device was formed with PEDOT as complementary coloring material. A potential range of -1.5 to +1.8 V was determined to be suitable for operating the PTCZ/PEDOT device between transparent and blue colors. Characterizations of the device were performed in term of switching times, optical contrast, optical memory and redox stability.

  11. Solvent-dependent fluorescence enhancement and piezochromism of a carbazole-substituted naphthopyran

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lihui; Wang, Aixia [Faculty of Chemistry, Northeast Normal University, Changchun 130024 (China); Wang, Guang, E-mail: wangg923@nenu.edu.cn [Faculty of Chemistry, Northeast Normal University, Changchun 130024 (China); Munyentwari, Alexis [Faculty of Chemistry, Northeast Normal University, Changchun 130024 (China); Zhou, Yihan, E-mail: yhzhou@ciac.ac.cn [National Analytical Research Center of Electrochemistry and Spectroscopy, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2015-09-15

    A novel carbazole-substituted naphthopyran, 3,3-bis-(4-carbazolylphenyl)-[3H]-naphtho[2,1-b]pyran (CzNP) was designed and synthesized. The new compound exhibited normal photochromism in dichloromethane solution and the UV irradiation did not influence its fluorescence. On the contrary, the fluorescence of CzNP in N,N-dimethylformamide (DMF) was intensively enhanced to 29 times after 60 min of the UV irradiation and this enhanced fluorescence can be quenched by addition of triethylamine (TEA). The study of enhanced extent of fluorescence of CzNP in solvents with different polarities and in mixed solvents demonstrated that the enhanced fluorescence is dependent on the polarity of solvents. The larger the polarity of solvent was, the stronger was the fluorescence of CzNP. CzNP also exhibited piezochromic performance and the pressure led to the cleavage of the C–O bond of pyran ring. - Highlights: • A carbazole-substituted photochromic naphthopyran was designed and synthesized. • The fluorescence was enhanced under the existence of DMF and UV irradiation. • The polarity of solvent was the dominating factor to affect the fluorescence. • The new compound also displayed piezochromic performance.

  12. Molecular recognition of the antiretroviral drug abacavir: towards the development of a novel carbazole-based fluorosensor.

    Science.gov (United States)

    Idzik, Krzysztof Ryszard; Cywinski, Piotr J; Cranfield, Charles G; Mohr, Gerhard J; Beckert, Rainer

    2011-05-01

    Due to their optical and electro-conductive attributes, carbazole derivatives are interesting materials for a large range of biosensor applications. In this study, we present the synthesis routes and fluorescence evaluation of newly designed carbazole fluorosensors that, by modification with uracil, have a special affinity for antiretroviral drugs via either Watson-Crick or Hoogsteen base pairing. To an N-octylcarbazole-uracil compound, four different groups were attached, namely thiophene, furane, ethylenedioxythiophene, and another uracil; yielding four different derivatives. Photophysical properties of these newly obtained derivatives are described, as are their interactions with the reverse transcriptase inhibitors such as abacavir, zidovudine, lamivudine and didanosine. The influence of each analyte on biosensor fluorescence was assessed on the basis of the Stern-Volmer equation and represented by Stern-Volmer constants. Consequently we have demonstrated that these structures based on carbazole, with a uracil group, may be successfully incorporated into alternative carbazole derivatives to form biosensors for the molecular recognition of antiretroviral drugs. PMID:21222147

  13. 75 FR 13257 - Carbazole Violet Pigment 23 from India: Final Results of the Expedited Five-year (Sunset) Review...

    Science.gov (United States)

    2010-03-19

    ... Pigment 23 (CVP-23) ] from India pursuant to section 751(c) of the Tariff Act of 1930, as amended (the Act). See Initiation of Five-year (Sunset) Review, 74 FR 56593 (November 2, 2009) (Initiation Notice). On... International Trade Administration Carbazole Violet Pigment 23 from India: Final Results of the Expedited...

  14. 75 FR 12497 - Carbazole Violet Pigment 23 from India and the People's Republic of China: Final Results of the...

    Science.gov (United States)

    2010-03-16

    ... China, 69 FR 77987 (December 29, 2004); Notice of Amended Final Determination of Sales at Less Than Fair Value and Antidumping Duty Order: Carbazole Violet Pigment 23 From India, 69 FR 77988 (December 29, 2004... 1930, as amended (the Act). See Initiation of Five-Year (``Sunset'') Review, 74 FR 56593 (November...

  15. 75 FR 10759 - Carbazole Violet Pigment 23 from India: Initiation of Antidumping Duty Changed-Circumstances Review

    Science.gov (United States)

    2010-03-09

    ... and Antidumping Duty Order: Carbazole Violet Pigment 23 From India, 69 FR 77988 (December 29, 2004... Order, Finding, or Suspended Investigation; Opportunity To Request Administrative Review, 74 FR 62743... Revocation in Part, and Deferral of Initiation of Administrative Review, 75 FR 4770 (January 29, 2010)....

  16. 77 FR 1463 - Carbazole Violet Pigment 23 From the People's Republic of China: Final Rescission of Antidumping...

    Science.gov (United States)

    2012-01-10

    ... Duty Administrative Review, 76 FR 55003 (September 6, 2011) (Preliminary Results). DATES: Effective... People's Republic of China: Rescission of Antidumping Duty Administrative Review, 76 FR 53408 (August 26... International Trade Administration Carbazole Violet Pigment 23 From the People's Republic of China:...

  17. 75 FR 25840 - Carbazole Violet Pigment 23 from the People's Republic of China: Extension of Time Limit for the...

    Science.gov (United States)

    2010-05-10

    ... Antidumping Duty Administrative Review, 74 FR 68780 (December 29, 2009) (Preliminary Results). The final... the Tariff Act of 1930, As Amended, 70 FR 24533 (May 10, 2005). This notice is published in accordance... International Trade Administration Carbazole Violet Pigment 23 from the People's Republic of China: Extension...

  18. 75 FR 62765 - Carbazole Violet Pigment 23 From India: Final Results of Antidumping Duty Changed-Circumstances...

    Science.gov (United States)

    2010-10-13

    ...-Circumstances Review, 75 FR 52930 (August 30, 2010). Although we gave interested parties an opportunity to... Antidumping Duty Administrative Review, 75 FR 38076 (July 1, 2010). Notification This notice serves as a... International Trade Administration Carbazole Violet Pigment 23 From India: Final Results of Antidumping...

  19. DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole

    DEFF Research Database (Denmark)

    Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof;

    2016-01-01

    The first report on crystal and molecular structure of 3,6-diiodo-9-ethyl-9H-carbazole is presented. Experimental room-temperature X-ray and 13C chemical shift studies were supported by advanced theoretical calculations using density functional theory (DFT). The 13C nuclear magnetic shieldings were...

  20. Efficient fluorescent deep-blue and hybrid white emitting devices based on carbazole/benzimidazole compound

    KAUST Repository

    Yang, Xiaohui

    2011-07-28

    We report the synthesis, photophysics, and electrochemical characterization of carbazole/benzimidazole-based compound (Cz-2pbb) and efficient fluorescent deep-blue light emitting devices based on Cz-2pbb with the peak external quantum efficiency of 4.1% and Commission Internationale dÉnclairage coordinates of (0.16, 0.05). Efficient deep-blue emission as well as high triplet state energy of Cz-2pbb enables fabrication of hybrid white organic light emitting diodes with a single emissive layer. Hybrid white emitting devices based on Cz-2pbb show the peak external quantum efficiency exceeding 10% and power efficiency of 14.8 lm/W at a luminance of 500 cd/m2. © 2011 American Chemical Society.

  1. SYNTHESIS AND CHARACTERIZATION OF POLYMERS BEARING AZOBENZENE AND CARBAZOLE GROUPS VIA POST-AZO-COUPLING REACTION

    Institute of Scientific and Technical Information of China (English)

    Jun Shi; Zhi-wei Jiang; Li Zhang; Shao-kui Cao

    2005-01-01

    A series of polymers bearing azobenzene and carbazole groups for photorefractive purpose were prepared via post-azo-coupling reaction. The successful reaction was identified by spectroscopic analysis and gel permeation chromatography. This approach is more facile compared with the direct polymerization of corresponding functional monomer. The polymers prepared have weight average molecular weight of higher than 1.5 × 104 and are easily soluble in common organic solvents like chloroform and tetrahydrofuran, polymer films with high optical quality could be easily fabricated through solution casting. Glass transition temperature (Tg) of the polymers ranges from 60℃ to 182℃, depending on the alkylene spacer length between the functional side group and the polymer backbone, and the polymers are relatively stable under 300℃.

  2. Carbazole Containing Copolymers: Synthesis, Characterization, and Applications in Reversible Holographic Recording

    Directory of Open Access Journals (Sweden)

    Bénédicte Mailhot-Jensen

    2010-01-01

    Full Text Available Carbazolic copolymers have been developed to be used in reversible holographic recording. This paper describes a complete analysis, from synthesis of the material to its applications, together with the corresponding characterizations. The investigated materials were photosensitive copolymers obtained from carbazolylalkylmethacrylates (CEM and octylmethacrylate (OMA. A detailed investigation was undertaken involving infrared spectroscopy and NMR techniques, 1H, 13C, COSY, and HSQC, in order to establish the chemical structure and the composition of the copolymers. Holographic recording characteristics were investigated with one- and two-layer photothermoplastic carriers. The two-layer carrier contains separate photosensitive and thermoplastic layers and gives the best holographic response. The surface of microstructured samples has been characterized by atomic force microscopy analysis. It is shown that via a photothermoplastic recording process, it is possible to record and read holograms practically in real time (~3 s with a diffraction efficiency of 10% and a spatial resolution higher than 1000 mm−1.

  3. Synthesis and Characterization of Carbazole-Benzothiadiazole-Based Conjugated Polymers for Organic Photovoltaic Cells with Triazole in the Main Chain

    Directory of Open Access Journals (Sweden)

    Eunhee Lim

    2013-01-01

    Full Text Available We have synthesized a series of carbazole-benzothiadiazole-triazole based copolymers, poly[(N-9′-heptadecanyl-2,7-carbazole-co-(5,5-(4′,7′-di-2-thienyl-2′,1′,3′-benzothiadiazole-co-((4-(4-butylphenyl-3,5-diphenyl-4H-1,2,4]triazole] (PCz3TBTz by Suzuki coupling polymerization. The optical and electrochemical properties of the copolymers could be tuned by changing the comonomer unit of triazole from 0% to 80%. Organic photovoltaic (OPV cells were fabricated by blending the synthesized polymers as a donor and PCBM as an acceptor. The material solubility and film morphology were improved by introducing the triazole unit in the main chain. Improved OPV device performance of 1.74% was achieved in the presence of an optimal amount of triazole moieties.

  4. Ferulic acid-carbazole hybrid compounds: Combination of cholinesterase inhibition, antioxidant and neuroprotection as multifunctional anti-Alzheimer agents.

    Science.gov (United States)

    Fang, Lei; Chen, Mohao; Liu, Zhikun; Fang, Xubin; Gou, Shaohua; Chen, Li

    2016-02-15

    In order to search for novel multifunctional anti-Alzheimer agents, a series of ferulic acid-carbazole hybrid compounds were designed and synthesized. Ellman's assay revealed that the hybrid compounds showed moderate to potent inhibitory activity against the cholinesterases. Particularly, the AChE inhibition potency of compound 5k (IC50 1.9μM) was even 5-fold higher than that of galantamine. In addition, the target compounds showed pronounced antioxidant ability and neuroprotective property, especially against the ROS-induced toxicity. Notably, the neuroprotective effect of 5k was obviously superior to that of the mixture of ferulic acid and carbazole, indicating the therapeutic effect of the hybrid compound is better than the combination administration of the corresponding mixture.

  5. Performance variation from triphenylamine- to carbazole-triphenylamine-rhodaniline-3-acetic acid dyes in dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Highlights: → We synthesized an organic dye of carbazole-rhodaniline-3-acetic acid-triphenylamine. → A dye-sensitized solar cell is fabricated using this dye with efficiency of 4.64%. → Carbazole donor in the dye molecule provides electron in increasing efficiency. → Two rhodaniline-3-acetic acids play a key role in increasing efficiency. → AC impedance proves this dye's effect on enhancing charge transfer in TiO2. - Abstract: Organic dyes have been synthesized which contain an extra-electron donor (carbazole) and electron acceptors (rhodaniline-3-acetic acid) on triphenylamines (TPA). Photophysical, electrochemical, and theoretical computational methods have categorized these compounds. Nanocrystalline TiO2-based dye-sensitized solar cells (DSSCs) are fabricated using these dye molecules as light-harvesting sensitizers. The overall efficiency of sensitized cells has 4.64% relative to a cis-di(thiocyanato)-bis(2,2'-bipyridyl)-4,4'-dicarboxylate ruthenium (II) (N3 dye)-sensitized device (7.83%) fabricated and measured under the same conditions. Carbazole-electron donation in the dye molecules plays a key role in the increased efficiency. Two rhodaniline-3-acetic acid groups appear to help convey the charge transfer from the excited dye molecules to the conduction band of TiO2, leading to a higher efficiency of devices using such a dye. Electrochemical impedance supports this dye's effect on enhancing charge transfer in TiO2 (e-). Computations on this dye compound also indicate the larger charge transfer efficiency in the electronically excited state.

  6. HIDRODENITROGENACION DE CARBAZOL SOBRE CATALIZADORES NiMo/Al2O3-SiO2(x

    Directory of Open Access Journals (Sweden)

    Felipe Sánchez-Minero

    2012-01-01

    Full Text Available En este trabajo se estudió la velocidad de reacción del carbazol sobre catalizadores NiMo soportados sobre Al2O3 modificada superficialmente con SiO2 (0 y 10 % en peso de SiO2 en el soporte. Los catalizadores fueron evaluados en un reactor intermitente a cuatro temperaturas (287, 300, 312 y 325oC, presión de 4.0 MPa y relación molar hidrogeno/carbazol de 2400. A partir de los resultados experimentales se realizó un estudio cinético utilizando ecuaciones del tipo Langmuir-Hinshelwood (L-H. Luego, los parámetros cinéticos fueron estimados mediante la minimización de Powell (programa Scientist de MicroMath. Los resultados muestran que el catalizador con sílice (NiMo-SAC 10 alcanza una mayor actividad para la HDN de carbazol debido a que presenta un mayor número de sitios activos (valor de A, así como una menor fuerza de adsorción entre el reactante y la superficie catalítica (valor de KN, lo cual posiblemente favorece una mejor regeneración de sitios activos.

  7. Determination by ultraviolet absorption spectrometry and theoretical calculation of dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one.

    Science.gov (United States)

    Zhang, Shufang; Zhang, Xiaoyan; Tang, Ke; Zhou, Zhengyu

    2009-08-15

    The dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one was determined by ultraviolet absorption spectrometry method based on the absorption spectra of 1,2,3,9-tetrahydro-4H-carbazol-4-one at different pH in ethanol-water mixed solvents. The results show that the pK(b) was a good linear function of the volume fraction of ethanol in the concentration range studied. The dissociation constant of 1, 2, 3,9-tetrahydro-4H-carbazol-4-one in water were determined by extrapolation to be 14.04 under the condition of this experiment. The accurate pK(b) calculations of 1,2,3,9-tetrahydro-4H-carbazol-4-one have been investigated using the combination of the extended clusters-continuum model with the polarizable continuum solvation model (PCM). The calculations are performed at the B3LYP/6-31G levels. The formation of molecular clusters by means of the 1,2,3,9-tetrahydro-4H-carbazol-4-one wrapped up with water molecules leads to the weakness of the interaction between the polar solvents and the 1,2,3,9-tetrahydro-4H-carbazol-4-one, hence, the accuracy of pK(b) has been enhanced. The dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one in water were calculated to be 14.10 and agreed well with experimental data.

  8. Antimicrobial activity of carbazole compounds:research advances%具有抗微生物活性咔唑类化合物的研究进展

    Institute of Scientific and Technical Information of China (English)

    颜建平; 周成合; 吉庆刚; 耿蓉霞

    2011-01-01

    咔唑类化合物是一类重要的芳杂环化合物,在抗细菌、抗真菌和抗病毒方面具有较好的应用前景,深受研究者关注.有关咔唑类化合物的研究包括天然生物碱的分离、全合成、结构修饰及其抗微生物活性研究与开发.本文结合本课题组的研究,综述了近年来咔唑类化合物的抗微生物活性及其构效关系的研究进展.%Carbazole compounds, a class of important aromatic heterocyclic compounds, possess extensive application prospect as antibacterial, antifungal and antiviral agents, and thus receive increasing attention. The researches on carbazole compounds include isolation and total synthesis of naturally carbazole alkaloids, structure modification of carbazole derivatives and investigation on their recovery of antimicrobial activities. This paper reviews recent research advances in carbazole compounds and their antimicrobial activities. The structure-activity relationship is also discussed.

  9. Carbazole based electrochromic polymers with benzoazole units: Effect of heteroatom variation on electrochromic performance

    Directory of Open Access Journals (Sweden)

    C. Doyranli

    2016-09-01

    Full Text Available A series of carbazole-based polymers were synthesized via Suzuki polymerization between N-(2-ethylhexylcarbazole-3,6-bis(ethyleneboronate (Cbz and dibromobenzazole unit. Three different polymers, PCBN, PCBS and PCBSe were obtained from 4,7-dibromo-2-hexyl-2H-benzotriazole (BN, 4,7-dibromo-2,1,3-benzothiadiazole- (BS and 4,7-dibromo-2,1,3-benzoselenadiazole (BSe, respectively. It is observed that, the variation of heteroatoms (N,S and Se on the benzazole unit have most important effect on electro-optic properties of the PCBX polymers. Neutral state color of the polymer films and their electrochromic performances are also influenced. Among the synthesized polymers, the PCBS bearing 2,1,3-benzothiadiazole as acceptor units has a broad absorption and 50% of ΔT in the near-IR regime at the oxidized state. This property of PCBS is a great advantage for near-IR electrochromic applications.

  10. Quickly Updatable Hologram Images Using Poly(N-vinyl Carbazole (PVCz Photorefractive Polymer Composite

    Directory of Open Access Journals (Sweden)

    Wataru Sakai

    2012-08-01

    Full Text Available Quickly updatable hologram images using photorefractive (PR polymer composite based on poly(N-vinyl carbazole (PVCz is presented. PVCz is one of the pioneer materials of photoconductive polymers. PR polymer composite consists of 44 wt % of PVCz, 35 wt % of 4-azacycloheptylbenzylidene-malonitrile (7-DCST as a nonlinear optical dye, 20 wt % of carbazolylethylpropionate (CzEPA as a photoconductive plasticizer and 1 wt % of 2,4,7-trinitro-9-fluorenone (TNF as a sensitizer. PR composite gives high diffraction efficiency of 68% at E = 45 V μm−1. Response speed of optical diffraction is the key parameter for real-time 3D holographic display. The key parameter for obtaining quickly updatable holographic images is to control the glass transition temperature lower enough to enhance chromophore orientation. Object image of the reflected coin surface recorded with reference beam at 532 nm (green beam in the PR polymer composite is simultaneously reconstructed using a red probe beam at 642 nm. Instead of using a coin object, an object image produced by a computer was displayed on a spatial light modulator (SLM and used for the hologram. The reflected object beam from an SLM was interfered with a reference beam on PR polymer composite to record a hologram and simultaneously reconstructed by a red probe beam.

  11. Effect of carbazole as a donor moiety on the second-order nonlinearity of organic molecules

    Science.gov (United States)

    Meshulam, Guilia; Berkovic, Garry; Kotler, Zvi; Ben-Asuly, Amos; Mazor, Royi; Shapiro, Lev; Khodorkovsky, Vladimir

    1999-10-01

    The second order nonlinearity of conjugated organic molecules involving, 1,3 indandione derivatives as an acceptor moiety has been studied. Varying the donor from dialkylamino to the chemically similar substituent, N- carbazolyl resulted in a drastic reduction of electric field induced second harmonic (beta) values. For some molecules, even a small negative value of (beta) was received. Quantum chemical calculations indicate that the decrease occurs as a result of two overlapping transitions, which contribute to (beta) with opposite signs. The charge transfer band gives a positive (beta) zzz along the molecular long axis, while a transition essentially within the carbazole moiety provides a negative (beta zzz contribution to (beta EFISH. Thus, these molecules must be described with a 2D model as opposed to the 'classical' model of 1D nonlinear optical chromophores. The prediction of the 2D model was verified experimentally by using a combination of two methods, EFISH and Hyper-Rayleigh Scattering, which probe different combination of the (beta) tensor elements.

  12. Neuroprotective efficacy of aminopropyl carbazoles in a mouse model of amyotrophic lateral sclerosis.

    Science.gov (United States)

    Tesla, Rachel; Wolf, Hamilton Parker; Xu, Pin; Drawbridge, Jordan; Estill, Sandi Jo; Huntington, Paula; McDaniel, Latisha; Knobbe, Whitney; Burket, Aaron; Tran, Stephanie; Starwalt, Ruth; Morlock, Lorraine; Naidoo, Jacinth; Williams, Noelle S; Ready, Joseph M; McKnight, Steven L; Pieper, Andrew A

    2012-10-16

    We previously reported the discovery of P7C3, an aminopropyl carbazole having proneurogenic and neuroprotective properties in newborn neural precursor cells of the hippocampal dentate gyrus. We have further found that chemicals having efficacy in this in vivo screening assay also protect dopaminergic neurons of the substantia nigra following exposure to the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine, a mouse model of Parkinson disease. Here, we provide evidence that an active analog of P7C3, known as P7C3A20, protects ventral horn spinal cord motor neurons from cell death in the G93A-SOD1 mutant mouse model of amyotrophic lateral sclerosis (ALS). P7C3A20 is efficacious in this model when administered at disease onset, and protection from cell death correlates with preservation of motor function in assays of walking gait and in the accelerating rotarod test. The prototypical member of this series, P7C3, delays disease progression in G93A-SOD1 mice when administration is initiated substantially earlier than the expected time of symptom onset. Dimebon, an antihistaminergic drug with significantly weaker proneurogenic and neuroprotective efficacy than P7C3, confers no protection in this ALS model. We propose that the chemical scaffold represented by P7C3 and P7C3A20 may provide a basis for the discovery and optimization of pharmacologic agents for the treatment of ALS.

  13. Discovery of a Carbazole-Derived Lead Drug for Human African Trypanosomiasis.

    Science.gov (United States)

    Thomas, Sarah M; Purmal, Andrei; Pollastri, Michael; Mensa-Wilmot, Kojo

    2016-01-01

    The protozoan parasite Trypanosoma brucei causes the fatal illness human African trypanosomiasis (HAT). Standard of care medications currently used to treat HAT have severe limitations, and there is a need to find new chemical entities that are active against infections of T. brucei. Following a "drug repurposing" approach, we tested anti-trypanosomal effects of carbazole-derived compounds called "Curaxins". In vitro screening of 26 compounds revealed 22 with nanomolar potency against axenically cultured bloodstream trypanosomes. In a murine model of HAT, oral administration of compound 1 cured the disease. These studies established 1 as a lead for development of drugs against HAT. Pharmacological time-course studies revealed the primary effect of 1 to be concurrent inhibition of mitosis coupled with aberrant licensing of S-phase entry. Consequently, polyploid trypanosomes containing 8C equivalent of DNA per nucleus and three or four kinetoplasts were produced. These effects of 1 on the trypanosome are reminiscent of "mitotic slippage" or endoreplication observed in some other eukaryotes. PMID:27561392

  14. Inhibition of Plasmodium falciparum Hsp90 Contributes to the Antimalarial Activities of Aminoalcohol-carbazoles.

    Science.gov (United States)

    Wang, Tai; Mäser, Pascal; Picard, Didier

    2016-07-14

    Malaria caused by the protozoan parasite Plasmodium falciparum (Pf) remains a major public health problem throughout the developing world. One molecular target that should receive more attention is the molecular chaperone Hsp90. It is essential and highly conserved in all eukaryotes, including in protozoan parasites. We have identified an amino-alcohol carbazole (N-CBZ) as a PfHsp90-selective inhibitor by virtually docking a large set of antimalarial compounds, previously found in a phenotypic screen, into a PfHsp90-specific pocket. By correlating the ability of 30 additional N-CBZ derivatives to bind directly to PfHsp90 with their Pf-inhibitory activity, we found that these types of compounds are more likely to inhibit Pf growth if they bind PfHsp90. For plausible targets such as PfHsp90, our workflow may help identifying the molecular target for compounds found by screening large chemical libraries for a desired biological effect and, conversely, ensuring biological effectiveness for compounds affecting a particular target. PMID:27312008

  15. SYNTHESIS AND CHARACTERIZATION OF NOVEL BIPOLAR PPV-BASED COPOLYMER CONTAINING TRIAZOLE AND CARBAZOLE UNITS

    Institute of Scientific and Technical Information of China (English)

    Ze Liu; Li-xiang Wang; Xia-bin Jing; Fo-song Wang

    2001-01-01

    Two new blue light-emitting PPV-based conjugated copolymers containing both an electron-withdrawing unit (triazole-TAZ) and electron-rich moieties (carbazole-CAR and bicarbazole-BCAR) were prepared by Wittig condensation polymerization between the triazole diphosphonium salt and the corresponding dialdehyde monomers. Their structures and properties were characterized by FT-IR, TGA, DSC, UV-Vis, PL spectroscopy and electrochemical measurements. The resulting copolymers are soluble in common organic solvents and thermally stable with a Ts of 147C for TAZ-CAR-PPV and of 157C for TAZ-BCAR-PPV. The maximum photoluminescence wavelengths of TAZ-CAR-PPV and TAZ-BCAR-PPV film appear at 460 nm and 480 nm, respectively. Cyclic voltammetry measurement demonstrates that TAZ-BCAR-PPV has good electrochemical reversibility, while TAZ-CAR-PPV exhibits the irreversible redox process. The triazole unit was found to be an effective π-conjugation interrupter and can play the rigid spacer role in determining the emission colour of the resulting copolymer.

  16. NOVEL RED LIGHT-EMITTING POLYMERS BASED ON 2,7-CARBAZOLE AND THIOPHENE DERIVATIVES

    Institute of Scientific and Technical Information of China (English)

    Ran-sheng Liu; Wen-jin Zeng; Bin Du; Wei Yang; Qiong Hou; Wei Shi; Yong Zhang; Yong Cao

    2008-01-01

    A series of conjugated copolymers derived from 9-ethylhexyl-2,7-carbazole (Cz) and 4,7-di(4-hexylthien-2-yl)-2,1,3-benzothiadiazole (DHTBT) was synthesized by Suzuki polycondensation. The photo- and electro-luminescentproperties of these polymers were investigated. Efficient energy transfer from the Cz segment to the DHTBT unit occurseven if the DHTBT content as low as 1 mol%. PL emission was red-shifted significantly from 645 nm to 700 nm with theincrease in DHTBT content by 1-50 mol%. PL efficiencies decreased with the increase in DHTBT content in the polymersfrom 55% for PCzDHTBT1 gradually down to 7% for PCzDHTBT50. EL emission of these polymers red-shifted from640 nm to 690 nm when the DHTBT content increased from 1 mol% to 50 mol%. The highest external quantum efficiencywas 1.67% for PCzDHTBT25 with the maximum luminescence of 870 cd/m,'2 in the device configuration of ITO/PEDOT:PSS/polymer/PFN/Ba/Al. The enhancement of device performances could be due to the improved electron injection byinserting the amino-containing polyfluorene (PFN) layer. These polymers are promising candidates as a red emitter in thefull-color polymer light emitting diodes (PLEDs).

  17. Synthesis of Novel 1-Substituted and 1,9-Disubstituted-1,2,3,4-tetrahydro-9H-Carbazole Derivatives as Potential Anticancer Agents

    Directory of Open Access Journals (Sweden)

    H. I. El-Diwani

    2000-10-01

    Full Text Available Condensation of 1-acetyl-1,2,3,4-tetrahydro-9H-carbazole (2 with some amino compounds furnished the corresponding imino derivatives 3a-e. Compound 3a reacted with chloroacetic acid and underwent cyclization to give the thiazolidine derivative 5. Also, treatment of 3c with thionyl chloride caused cyclization to yield the [1,2,6]thiadiazino derivative 6, which gave the corresponding N-formyl derivative 7 upon heating with ethyl formate. In addition, interaction of 3d with ethyl cyanoacetate yielded the monoamide of malonic acid derivative 8. Acylation of carbazole 1 with succinoyl chloride or phenylacetyl choride produced the corresponding azepine (11 and 1,9-diphenyl acetyl derivatives (14, respectively. Compounds 11, 14 were further reacted to give the carbazole derivatives 12, 13 and 15a,b. The cytotoxic activity for some of the prepared compounds against breast cancer B20 is discussed.

  18. Synthesis and spectra of a kind of novel longer-wavelength benzoxazole indole styryl cyanine dye with a carbazole-bridged chain.

    Science.gov (United States)

    Fei, Xuening; Gu, Yingchun; Li, Chao; Liu, Yuru; Yu, Lu

    2013-01-01

    Based on cyanine dye probe oxazole yellow (YO) and Cy(3), a series of novel styryl cyanine dyes were designed and synthesized. Carbazole was inserted into the structures of YO and Cy(3) to act as a bridge to link the benzoxazole and indole group. This modification resulted in a novel kind of benzoxazole indole styryl cyanine dye with a carbazole-bridged chain. The dyes were characterized by (1)HNMR and MS. The spectra of the novel dyes were also performed and the results showed that the maximum emission wavelength of the carbazole styryl cyanine dye was shifted red, the Stokes shift increased and the fluorescence intensity enhanced compared with those of YO and Cy(3). These results indicated that the novel dye could be used as an excellent fluorescent probe in biological labeling.

  19. 3-苯并嚼唑-6-甲酰基咔唑的合成%Synthesis of 3-benzoxazole-6-formyl Carbazole

    Institute of Scientific and Technical Information of China (English)

    杨旭; 费学宁; 谷迎春; 李超

    2011-01-01

    Two novel 3-benzoxazole-6-formyl carbazole derivatives were synthesized from carbazole by alkylation, formylation, oxidation of carbazole schiff bases and formylation. The cqmpounds' structures were characterized by 1H NMR and MS and their fluorescent spectra were preliminarily studied.%以咔唑为原料,经过烷基化、甲酰化、咔唑席夫碱氧化、甲酰化,合成了2个3-苯并嗯唑-6-甲酰基咔唑衍生物,其结构经1HNMR和MS表征,并初步研究了其荧光光谱.

  20. Self-Assembly of Electron Donor-Acceptor-Based Carbazole Derivatives: Novel Fluorescent Organic Nanoprobes for Both One- and Two-Photon Cellular Imaging.

    Science.gov (United States)

    Zhang, Jinfeng; Chen, Wencheng; Kalytchuk, Sergii; Li, King Fai; Chen, Rui; Adachi, Chihaya; Chen, Zhan; Rogach, Andrey L; Zhu, Guangyu; Yu, Peter K N; Zhang, Wenjun; Cheah, Kok Wai; Zhang, Xiaohong; Lee, Chun-Sing

    2016-05-11

    In this study, we report fluorescent organic nanoprobes with intense blue, green, and orange-red emissions prepared by self-assembling three carbazole derivatives into nanorods/nanoparticles. The three compounds consist of two or four electron-donating carbazole groups linked to a central dicyanobenzene electron acceptor. Steric hindrance from the carbazole groups leads to noncoplanar 3D molecular structures favorable to fluorescence in the solid state, while the donor-acceptor structures endow the molecules with good two-photon excited emission properties. The fluorescent organic nanoprobes exhibit good water dispersibility, low cytotoxicity, superior resistance against photodegradation and photobleaching. Both one- and two-photon fluorescent imaging were shown in the A549 cell line. Two-photon fluorescence imaging with the fluorescent probes was demonstrated to be more effective in visualizing and distinguishing cellular details compared to conventional one-photon fluorescence imaging. PMID:27097920

  1. One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere

    KAUST Repository

    Wang, Xinbo

    2015-11-06

    A facile one-pot synthesis of N-(α-peroxy)indole and N-(α-peroxy)carbazole has been developed using metal-free, organo-acid-catalyzed three-component condensation reactions of indole/carbazole, aldehyde, and peroxide. Based on the reaction discovered, a new synthetic proposal for Fumitremorgin A and Verruculogen is introduced. Such a protocol could be easily handled and scaled up in an open atmosphere with a wide substrate scope, enabling the construction of a new molecule library.

  2. Indolo[2,3-b]carbazoles with tunable ground states: How Clar's aromatic sextet determines the singlet biradical character

    KAUST Repository

    Luo, Ding

    2014-01-01

    Polycyclic hydrocarbons (PHs) with a singlet biradical ground state have recently attracted extensive interest in physical organic chemistry and materials science. Replacing the carbon radical center in the open-shell PHs with a more electronegative nitrogen atom is expected to result in the more stable aminyl radical. In this work, two kinetically blocked stable/persistent derivatives (1 and 2) of indolo[2,3-b]carbazole, an isoelectronic structure of the known indeno[2,1-b]fluorene, were synthesized and showed different ground states. Based on variable-temperature NMR/ESR measurements and density functional theory calculations, it was found that the indolo[2,3-b]carbazole derivative 1 is a persistent singlet biradical in the ground state with a moderate biradical character (y0 = 0.269) and a small singlet-triplet energy gap (ΔES-T ≅ -1.78 kcal mol-1), while the more extended dibenzo-indolo[2,3-b]carbazole 2 exhibits a quinoidal closed-shell ground state. The difference can be explained by considering the number of aromatic sextet rings gained from the closed-shell to the open-shell biradical resonance form, that is to say, two for compound 1 and one for compound 2, which determines their different biradical characters. The optical and electronic properties of 2 and the corresponding aromatic precursors were investigated by one-photon absorption, transient absorption and two-photon absorption (TPA) spectroscopies and electrochemistry. Amphoteric redox behaviour, a short excited lifetime and a moderate TPA cross section were observed for 2, which can be correlated to its antiaromaticity and small biradical character. Compound 2 showed high reactivity to protic solvents due to its extremely low-lying LUMO energy level. Unusual oxidative dimerization was also observed for the unblocked dihydro-indolo[2,3-b]carbazole precursors 6 and 11. Our studies shed light on the rational design of persistent aminyl biradicals with tunable properties in the future. This journal

  3. Cloning and expression of meta-cleavage enzyme (CarB of carbazole degradation pathway from Pseudomonas stutzeri

    Directory of Open Access Journals (Sweden)

    Ariane Leites Larentis

    2005-06-01

    Full Text Available In this work, the 1082bp PCR product corresponding to carBaBb genes that encode the heterotetrameric enzyme 2'-aminobiphenyl-2,3-diol 1,2-dioxygenase (CarB, involved in the Pseudomonas stutzeri ATCC 31258 carbazole degradation pathway, was cloned using the site-specific recombination system. Recombinant clones were confirmed by PCR, restriction enzyme digestion and sequencing. CarB dioxygenase was expressed in high levels and in active form in Escherichia coli BL21-SI using the His-tagged expression vector pDEST TM17 and salt induction for 4h.Carbazol e seus derivados são compostos nitrogenados aromáticos, presentes comumente em petróleo e potencialmente poluentes. A rota de biodegradação de carbazol a ácido antranílico em Pseudomonas sp. é composta por três enzimas responsáveis, respectivamente, pelas reações de dioxigenação angular, meta-clivagem e hidrólise. A segunda enzima da rota, 2'-aminobifenil-2,3-diol 1,2-dioxigenase (CarB, codificada por dois genes (carBa e carBb, é um heterotetrâmero com atividade catalítica na quebra do anel catecol do susbtrato na posição meta. Neste trabalho, foi clonado o produto de PCR de 1082pb correspondente aos genes carBaBb da bactéria degradadora de carbazol Pseudomonas stutzeri ATCC 31258. A estratégia de clonagem empregada foi a de recombinação sítio-específica e a construção dos plasmídeos foi confirmada por PCR, digestão com enzima de restrição e seqüenciamento. A enzima ativa foi expressa em altas concentrações em vetor pDEST TM17 com cauda de histidina e promotor T7 em Escherichia coli BL21-SI com indução por NaCl durante 4h.

  4. Crystal structure of 3-(9H-carbazol-9-yl-N′-[(E-4-chlorobenzylidene]propanohydrazide

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2015-12-01

    Full Text Available In the title compound, C22H18ClN3O, the carbazole ring system is essentially planar (r.m.s deviation = 0.003 Å, and makes a dihedral angle of 9.01 (8° with the plane of the chlorophenyl ring. In the crystal, neighbouring molecules are linked into centrosymmetric R22(8 dimers by pairs of N—H...O interactions and into a three-dimensional network by C—H...π interactions. The dimers are arranged into layers parallel to (010.

  5. Neuroprotective efficacy of aminopropyl carbazoles in a mouse model of Parkinson disease.

    Science.gov (United States)

    De Jesús-Cortés, Héctor; Xu, Pin; Drawbridge, Jordan; Estill, Sandi Jo; Huntington, Paula; Tran, Stephanie; Britt, Jeremiah; Tesla, Rachel; Morlock, Lorraine; Naidoo, Jacinth; Melito, Lisa M; Wang, Gelin; Williams, Noelle S; Ready, Joseph M; McKnight, Steven L; Pieper, Andrew A

    2012-10-16

    We previously reported the discovery of P7C3, an aminopropyl carbazole having proneurogenic and neuroprotective properties in newborn neural precursor cells of the dentate gyrus. Here, we provide evidence that P7C3 also protects mature neurons in brain regions outside of the hippocampus. P7C3 blocks 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-mediated cell death of dopaminergic neurons in the substantia nigra of adult mice, a model of Parkinson disease (PD). Dose-response studies show that the P7C3 analog P7C3A20 blocks cell death with even greater potency and efficacy, which parallels the relative potency and efficacy of these agents in blocking apoptosis of newborn neural precursor cells of the dentate gyrus. P7C3 and P7C3A20 display similar relative effects in blocking 1-methyl-4-phenylpyridinium (MPP(+))-mediated death of dopaminergic neurons in Caenorhabditis elegans, as well as in preserving C. elegans mobility following MPP(+) exposure. Dimebon, an antihistaminergic drug that is weakly proneurogenic and neuroprotective in the dentate gyrus, confers no protection in either the mouse or the worm models of PD. We further demonstrate that the hippocampal proneurogenic efficacy of eight additional analogs of P7C3 correlates with their protective efficacy in MPTP-mediated neurotoxicity. In vivo screening of P7C3 analogs for proneurogenic efficacy in the hippocampus may thus provide a reliable means of predicting neuroprotective efficacy. We propose that the chemical scaffold represented by P7C3 and P7C3A20 provides a basis for optimizing and advancing pharmacologic agents for the treatment of patients with PD.

  6. The mixed carbon-nitrogen conjugation in the carbazole based polymer; the electrochemical, UVVis, EPR, and IR studies on 1,4 bis[(E)2-(9H-carbazol-9-yl)vinyl]benzene

    Energy Technology Data Exchange (ETDEWEB)

    Lapkowski, Mieczyslaw [Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Centre of Polymer and Carbon Materials, Polish Academy of Science, Curie Sklodowska 34, 41-800 Zabrze (Poland); Zak, Jerzy, E-mail: jerzy.zak@polsl.p [Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Karon, Krzysztof [Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Marciniec, Bogdan; Prukala, Wieslaw [Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznan (Poland)

    2011-04-15

    Research highlights: {yields} This is study on conjugatively N-linked bicarbazoles. {yields} We provide electrochemical and spectral characteristics for both monomer and polymer. {yields} We found hypsochromic effect (absorbance and fluorescence) for polymer vs. monomer. {yields} The resulting polymer reveals the higher band gap than its monomer. - Abstract: We report on electronic and spectroscopic properties of a new synthesized bicarbazole monomer and its electroactive polymer. In the monomer a branching of the carbazole conjugation occurs through N-linked, conjugated bridge between two carbazole units. That extended conjugation path adds rigidity to the large molecule, which leads in electropolymerization to the formation of ordered polymeric structure. That result is supported by an evident hypsochromic shift in both the absorption and fluorescence spectra measured for the monomer and its polymer. The effect of broadening of the band gap of the created polymer demonstrates a new route in designing of monomers that may lead to stable polymeric materials emitting blue light. The ex situ IR spectra of the polymer and the course of the electropolymerization monitored using in situ IR measurements confirm the assumed structure of the obtained polymer. Electrochemical, UVVis-, and EPR-spectroelectrochemical data have been provided to discuss the properties of the system and to support the proposed reaction mechanism.

  7. EFFICIENT WHITE EMITTING COPOLYMERS BASED ON BIPOLAR FLUORENE-co-DIBENZOTHIOPHENE-S,S-DIOXIDE-co-CARBAZOLE BACKBONE

    Institute of Scientific and Technical Information of China (English)

    Lei Ying; Yan-hu Li; Cai-hong Wei; Min-quan Wang; Wei Yang; Hong-bin Wu; Yong Cao

    2013-01-01

    Efficient white light emitting polymers were synthesized based on poly(9,9-dioctylfluorene-co-dibenzothiopheneS,S-dioxide) as blue emitter and a bisphenylamine functionalized 2,1,3-benzothiadiazole (DPABT) as red emitter.It was found that the incorporation of hole-transporting carbazole moiety into polymer main chain could effectively reduce the hole injection barriers,which can lead to distinctly improved charge balance in the emissive layer.Additionally,the holetransporting carbazole units may form efficient bipolar host with electron-transporting dibenzothiophene-S,S-dioxide units.The white light emitting diodes based on single polymer PFSOCzDPABT showed the maximum luminous efficiency of 3.3 cd/A with the maximum luminance of 10282 cd/m2,and the luminous efficiency showed only 24% roll off at current density of 400 mA/cm2.These Commission Intemationale d'Enclairage (CIE) coordinates of the devices changed slightly with the driving voltages increasing from 8 V to 12 V,and were very close to National Television System Committee (NTSC) standard white light emission of (0.33,0.33).The results indicated that the incorporating bipolar host and low band gap DPABT unit was a promising way to achieve efficient single white light emitting copolymers.

  8. Novel Hole Transporting Materials Based on 4-(9H-Carbazol-9-yltriphenylamine Derivatives for OLEDs

    Directory of Open Access Journals (Sweden)

    Quynh Pham Bao Nguyen

    2014-09-01

    Full Text Available During the past few years, organic light emitting diodes (OLEDs have been increasingly studied due to their emerging applicability. However, some of the properties of existing OLEDs could be improved, such as their overall efficiency and durability; these aspects have been addressed in the current study. A series of novel hole-transporting materials (HTMs 3a–c based on 4-(9H-carbazol-9-yltriphenylamine conjugated with different carbazole or triphenylamine derivatives have been readily synthesized by Suzuki coupling reactions. The resulting compounds showed good thermal stabilities with high glass transition temperatures between 148 and 165 °C. The introduction of HTMs 3b and 3c into the standard devices ITO/HATCN/NPB/HTMs 3 (indium tin oxide/dipyrazino(2,3-f:2ꞌ,3ꞌ-hquinoxaline 2,3,6,7,10,11-hexacarbonitrile/N,Nꞌ-bis(naphthalen-1-yl-N,Nꞌ-bis(phenyl-benzidine/HTMs/CBP (4,4ꞌ-Bis(N-carbazolyl-1,1ꞌ-biphenyl: 5% Ir(ppy3/Bphen/LiF/Al (tris[2-phenylpyridinato-C2,N]iridium(III/4,7-diphenyl-1,10-phenanthroline/LiF/Al resulted in significantly enhanced current, power, and external quantum efficiencies (EQE as compared to the reference device without any layers of HTMs 3.

  9. Blue-shifted emission and enhanced quantum efficiency viaπ-bridge elongation in carbazole-carborane dyads.

    Science.gov (United States)

    Wang, Zhaojin; Jiang, Peng; Wang, Tianyu; Moxey, Graeme J; Cifuentes, Marie P; Zhang, Chi; Humphrey, Mark G

    2016-06-21

    Carbazole-carborane linear dyads and di(carbazole)-carborane V-shaped dyads with phenyleneethynylene-based bridges have been synthesized. The V-shaped dyads display the expected red-shifts in the location of their UV-Vis absorption maxima on bridge-lengthening, but show unusual blue-shifts in charge-transfer (CT) emission on the same π-system lengthening. These blue-shifts can be attributed to the 2n + 3 electron count within the carborane cluster in the excited state. The linear dyads luminesce via a combination of local excited (LE) and CT emission, with a red-shift in LE emission and a blue-shift in CT emission accompanying π-bridge elongation. A quantum efficiency as high as 86% in the solution state is achieved from the hybrid LE/CT emission. Time-dependent density functional theory (TD-DFT) calculations at the excited state of these compounds have clarified the photoluminescence blue-shift and suggested a typical cluster C-C bond elongation in the V-shaped dyads. Calculations on the elongated linear dyads have suggested that the electron density is localized at the phenyleneethynylene-containing bridge. PMID:27225829

  10. DNA rearrangement has occurred in the carbazole-degradative plasmid pCAR1 and the chromosome of its unsuitable host, Pseudomonas fluorescens Pf0-1.

    Science.gov (United States)

    Shintani, Masaki; Matsumoto, Takashi; Yoshikawa, Hirofumi; Yamane, Hisakazu; Ohkuma, Moriya; Nojiri, Hideaki

    2011-12-01

    The carbazole-degradative plasmid pCAR1 carries the class II transposon Tn4676, which contains the car and ant genes, essential for conversion of carbazole into anthranilate, and anthranilate into catechol, respectively. In our previous study, DNA rearrangements in pCAR1 were frequently detected in the host Pseudomonas fluorescens Pf0-1 in the presence of carbazole, resulting in the improvement of host survivability. Several Pf0-1 mutants harbouring pCAR1 were isolated, and deletion of DNA in the plasmid ant gene was found. Here, we compared genome sequences of the parent strain Pf0-1L(pCAR1::rfp) and one of its mutants, 5EP83, to assess whether other DNA rearrangements occurred in either the plasmid or the host chromosome. We found transposition of Tn4676 into the 5EP83 chromosome. In addition, ISPre1 had transposed into the car gene intergenic region on the pCAR1-derivative plasmid of 5EP83, which inhibited car transcription. As a result of these transpositions, 5EP83 was able to metabolize carbazole due to the Tn4676 on its chromosome, although the car genes on its plasmid were non-functional. We also found that one copy of duplicate carAa genes had been deleted, and that ISPre4 had transposed into both the host chromosome and the plasmid. Our findings suggest that Pf0-1 harbouring pCAR1 is subjected to DNA rearrangements not only on the plasmid but also on its chromosome in the presence of carbazole.

  11. Synthesis, structure and properties of zinc(II) coordination polymers with 9H-carbazole-2,7-dicarboxylic acid

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Xiu-Chun; Xi, Fu-Gui; Wang, Kun; Su, Zhao; Gao, En-Qing, E-mail: eqgao@chem.ecnu.edu.cn

    2013-10-15

    From a new dicarboxylate ligand, 9H-carbazole-2,7-dicarboxylic acid (2,7-H{sub 2}CDC), three Zn(II) metal-organic frameworks were synthesized in the absence or presence of ditopic N-donor ligands. They are formulated as [Zn{sub 5}(μ{sub 3}-OH){sub 2}(2,7-CDC){sub 4}(DEF){sub 2}] (1) (DEF=N,N-diethylformamide), [Zn{sub 2}(2,7-CDC){sub 2}(DABCO)(H{sub 2}O)]·5DMF·H{sub 2}O (2) (DABCO=1-diaza-bicyclo[2.2.2]octane, DMF=N,N-dimethylformamide), and [Zn{sub 2}(2,7-CDC){sub 2}(bpea)]·3DMA·2 H{sub 2}O (3) (bpea=1,2-bis(4-pyridyl)ethylane, DMA=N,N-dimethylacetamide). Compounds 1 and 3 display the 3D pcu frameworks. In 1 the unusual pentanuclear [Zn{sub 5}(μ{sub 3}-OH){sub 2}(COO){sub 8}] secondary building units (SBUs) are linked by dicarboxylate ligands. Differently, in 3 the well-known paddle–wheel [Zn{sub 2}(COO){sub 4}] SBUs are linked by dicarboxylate and dipyridyl ligands. Compound 2 shows the rare self-catenated 3D alb-3,6-C2/c net topology based on the dinuclear paddle–wheel SBU and a mononuclear unit. The stability and fluorescent properties of the compounds have been studied. - Graphical abstract: A new dicarboxylate ligand, 9H-carbazole-2,7-dicarboxylic acid, was used to construct Zn(II) metal-organic frameworks, including a novel self-catenated network with the rare 3D alb-3,6-C2/c net and two pcu-type networks based on an unprecedented pentanuclear clusters and the common paddle–wheel units. The compounds show blue fluorescent properties. Display Omitted - Highlights: • MOFs with a new carbazole-based dicarboxylate ligand. • New pentanuclear [Zn{sub 5}(μ{sub 3}-OH){sub 2}(COO){sub 8}] secondary building unit. • The rare self-catenated 3D alb-3,6-C2/c net.

  12. Spectroscopic studies on 9H-carbazole-9-(4-phenyl) boronic acid pinacol ester by DFT method

    Science.gov (United States)

    Sas, E. B.; Kurt, M.; Can, M.; Horzum, N.; Atac, A.

    2016-08-01

    9H-Carbazole-9-(4-phenyl) boronic acid pinacol ester (9-CPBAPE) molecule was investigated by FT-IR, Raman, UV-vis, 1H and 13C NMR spectra. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. 1H, 13C NMR and UV-vis spectra were recorded in dimethyl sulfoxide (DMSO) solution. The results of theoretical calculations for the spectra of the title molecule were compared with the experimental spectra. The highest occupied molecular orbital (HOMO) the lowest unoccupied molecular orbital (LUMO) and molecular electrostatic potential (MEP) analyses were performed. The theoretical calculations for the molecular structure and spectroscopic studies were performed with DFT (B3LYP) and 6-311G (d,p) basis set calculations using the Gaussian 09 program. The total (TDOS), partial (PDOS) density of state and overlap population density of state (OPDOS) diagrams analyses were performed using GaussSum 2.2 program.

  13. Synthesis and properties of a star-shaped organic material with triphenylamine and N-vinyl carbazole units

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A starburst triphenylamine cored N-vinyl carbazole (V-Cz) branched compound was designed and synthesized via optimized Heck reaction in a yield of 40-60%. Moderate yield came from decomposition of V-Cz and self-coupling of triiodo-triphenylamine.TCz-TPA adopts a highly twisted propeller conformation by molecular mechanical optimization. It is readily soluble for its highly twisted conformation. Transparent and pinhole free films could be easily fabricated by spin-coating for its starburst structure. It emits blue-greenish light in CH2Cl2 peaked at 460 nm with a narrow full-width at half-maximum (FWHM) of 65 nm. As compared,the absorption peaks of the spin-coated film blue shifted and emission peak red shifted to 510 nm with a FWHM of 96 nm.

  14. Four new carbazole alkaloids from Murraya koenigii that display anti-inflammatory and anti-microbial activities.

    Science.gov (United States)

    Nalli, Yedukondalu; Khajuria, Vidushi; Gupta, Shilpa; Arora, Palak; Riyaz-Ul-Hassan, Syed; Ahmed, Zabeer; Ali, Asif

    2016-03-28

    In our present study, four new, designated as murrayakonine A-D (), along with 18 known carbazole alkaloids were isolated from CHCl3 : MeOH (1 : 1) crude extracts of the stems and leaves of Murraya koenigii (Linn.) Spreng. The structures of the all isolated compounds were characterized by analysis of HR-ESI-MS and NMR (1D and 2D spectroscopy) results, and comparison of their data with the literature data. For the first time, all the isolates were evaluated for their anti-inflammatory activities, using both in vitro and in vivo experiments, against the key inflammatory mediators TNF-α and IL-6. The new compound murrayakonine A (), O-methylmurrayamine A () and mukolidine () were proven to be the most active, efficiently inhibiting TNF-α and IL-6 release in a dose-dependent manner and showing decreased LPS induced TNF-α and IL-6 production in human PBMCs. Furthermore, all the isolates were screened for their antimicrobial potential, and the compounds girinimbine () (IC50 3.4 μM) and 1-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde () (IC50 10.9 μM) displayed potent inhibitory effects against Bacillus cereus. Furthermore, compounds murrayamine J () (IC50 11.7 μM) and koenimbine () (IC50 17.0 μM) were active against Staphylococcus aureus. However, none of the compounds were found to be active against Escherichia coli or Candida albicans. PMID:26947457

  15. Carbazole dye with phosphonic acid anchoring groups for long-term heat stability of dye-sensitized solar cells

    International Nuclear Information System (INIS)

    In dye-sensitized solar cells (DSSCs), the binding strength between the dye and TiO2 surface may affect the heat stability of the DSSCs. Carboxylic acids have generally been used as the anchoring groups for the adsorption of dyes on TiO2 surfaces. However, a phosphonic acid anchor is expected to effect more stable bonding to a TiO2 surface because of its tridentate binding capability. In this study, we developed a new carbazole dye that employed a phosphonic acid anchor, MK-94. We studied the effect of the dye anchoring group on the heat stability of DSSCs by comparing MK-94, MK-2 (a carbazole dye with a carboxylic acid anchoring group), and Z-907 (a well-known, robust Ru complex dye with a carboxylic acid anchoring group). In the initial performance assessment, the DSSC with MK-94 exhibited a lower short circuit current (jsc) but a higher open circuit voltage (ΔVoc) than MK-2. With respect to heat stability, decreases in jsc and ΔVoc were suppressed with MK-94, and the drop of the power conversion efficiency (PCE) was kept within 6% after 504 h of heating. In addition, MK-94 demonstrated the longest electron lifetime and largest charge transfer resistance than the other dyes during the stability test. In contrast, the PCE decreased 27% from the initial value in the DSSC with MK-2. Thus, the phosphonic acid anchor was effective in extending the long-term heat stability of the DSSCs

  16. Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative.

    Science.gov (United States)

    Liu, Yanli; Cerezo, Javier; Santoro, Fabrizio; Rizzo, Antonio; Lin, Na; Zhao, Xian

    2016-08-17

    The one-photon absorption spectrum of a carbazole derivative has been studied by employing density functional response theory combined with a mixed quantum/classical (QC) approach to simulate the spectral shape. In a first step of our analysis we employed the vertical gradient (VG) vibronic model to investigate the role of Franck-Condon (FC) profiles of the first ten electronic excited states of the system, underlying most of the range of the experimental spectrum. We then focussed on the first six excited states covering the low-energy region of the spectrum, and investigated the effect of inter-state electronic couplings on the spectral shapes within Herzberg-Teller (HT) theory. Furthermore, in order to introduce the broadening effects due to the two inter-ring torsions, we employed a QC approach, adopting VG vibronic models for high-frequency modes and computing the contribution of the torsions to the spectrum from the distribution of the excitation energies along a two-dimensional relaxed potential energy. Finally, we estimated the solvent inhomogeneous broadening by computing the solvent reorganization energy using a polarizable continuum model. Our calculations allow us to obtain a non-phenomenological description of the low-energy part of the spectrum in semi-quantitative agreement with experiment and to dissect the relative importance of solvent, torsional flexibility, FC vibronic progressions, and inter-state couplings in determining its broad spectral shapes and the modulation of its intensity. Our analysis also clearly highlights that the investigated carbazole represents a big challenge for available methodologies due to the existence of many close-lying excited electronic states coupled by internal low-frequency and high-frequency motions and by solvent fluctuations. The study of their impact on the spectra at the HT level is only approximate and more refined treatments would require a fully quantum-dynamical calculation on the manifold of the coupled

  17. Novel high band gap pendant-borylated carbazole polymers with deep HOMO levels through direct +N=B- interaction for organic photovoltaics

    DEFF Research Database (Denmark)

    Brandt, Rasmus G.; Sveegaard, Steffen G.; Xiao, Manjun;

    2016-01-01

    In this communication, we investigate the direct and still conjugated intramolecular +N=B- interactions in novel high band gap borylated carbazole containing polymers, namely, poly(3,6-(N-di(2,4,6-trimethyl)-phenylboryl-carbazole)-alt- 4,8-di(5-(2-ethylhexyl)thiophene-2-yl)benzo[1,2-b: 4,5-b...... by UV-Vis absorption, electro-chemical property studies, and computer modelling. Band gaps of 2.07 eV for P(3,6-BCBDT) and 2.23 eV for P(3,6-BCQT) were obtained. P(3,6-BCQT) afforded a power conversion efficiency of 1.44%, with a Jsc of 4.82 mA cm-2, a Voc of 0.79 V and a FF of 37%, and P(3,6-BCBDT...

  18. Influence of maturity on carbazole and benzocarbazole distributions in crude oils and source rocks from the Sonda de Campeche, Gulf of Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Clegg, H.; Wilkes, H.; Oldenburg, T.; Horsfield, B. [Research Centre, Juelich (Germany). Institute for Petroleum and Organic Geochemistry; Santamaria-Orozco, D. [Research Centre, Juelich (Germany). Institute for Petroleum and Organic Geochemistry]|[Instituto Mexicano del Petroleo (Mexico)

    1998-12-31

    Carbazole geochemistry has been studied for a petroleum system in which vertical migration is prominent and where reservoirs are locally sourced. An essentially uniform organofacies of organic-rich Tithonian source rocks from the Sonda de Campeche (Gulf of Mexico), covering a well defined maturity sequence (0.36-1.29% R{sub r}) and associated crude oils (0.49-0.92% R{sub c}) from Palaeocene reservoirs formed the sampling base. Comparison of the distribution of alkylcarbazoles and benzocarbazoles in rock bitumens and oils revealed that fractionation due to primary expulsion had no effect on the distribution of shielded/exposed carbazoles within crude oils. Perhaps more importantly, the benzocarbazole ratio in both extracts and crude oils increased with maturity, indicating that this parameter cannot be directly used as a migration indicator in petroleum systems where vertical migration through faults and fissures represents the main avenues of oil migration. (author)

  19. A novel carbazole-based fluorescent probe:3,6-Bis-[(N-ethylcarbazole-3-y1)-propene-1-keto]-N-ethylcarbazole

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A novel carbazole-based compound 5,3,6-bis[(N-ethylcarbazole-3-yl)-propene-1-keto]-N-ethylcarbazole has been designed, synthesized and characterized.The absorption and fluorescence spectra in solvents of different polarities prove that the compound has a distinct intramolecular charge transfer character.Compound 5 can be used as a new class of fluorescent probe or biosensor due to its sensitivity to the local microenvironment such as solvent polarity.

  20. Anion Binding Studies on Receptors Derived from the Indolo[2,3-a]carbazole Scaffold Having Different Binding Cavity Sizes

    Directory of Open Access Journals (Sweden)

    Guzmán Sánchez

    2014-07-01

    Full Text Available The indolo[2,3-a]carbazole scaffold is a fused polyheteroaromatic system bearing two NH groups which suitably converge as hydrogen bond donor sites for the recognition of anions. A simple derivatisation of the indolocarbazole system at positions 1 and 10 with different functional groups, namely alcohols and amides, has contributed to modulate the anion binding selectivity and sensibility. A particularly good response has been obtained for the benzoate anion.

  1. Synthesis and antiemetic activity of 1,2,3,9-tetrahydro-9-methyl-3-(4-substituted-piperazin-l-ylmethyl)-4H-carbazol-4- one derivatives

    Institute of Scientific and Technical Information of China (English)

    Qigui xu; Tianyu LIU; Rui TIAN; Qingeng LI; Deyin MA

    2009-01-01

    5-HT3 receptor antagonists, such as Ondanse-tron, are used for anti-emesis after chemotherapy, radio-therapy and operations. Some Ondansetron analogs possessing piperazine ring as side chains were synthesized in our lab. Thus, one of the two carbonyl groups of starting material 1,3-cyclohexandione (1) was condensed with phenylhydrazine hydrochloride to form monophenylhy-drazone (2). 1,2,3,9-Tetrahydro-4H-carbazol-4-one (3) was prepared from 2 via cyclization and rearranged in the presence of ZnC12. Through a methylation reaction,compound 3 was converted to 1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one (4). 3-Dimethylaminomethyl substituted compound (5) was synthesized from 4 by a Mannich reaction in glacial acetic acid. Nine novel 1,2,3,9-t etrahydro-9-methyl- 3 - (4- sub stituted-pip erazin- 1 -ylmethyl)- 4H-carbazol-4-one derivatives (6a--6i) were sy-nthesized through nucleophilic substitution reaction of 5 with piperazines. The structures of all the target compounds were determined by elemental analysis, IR,MS, 1H NMR and 13C NMR spectra. The results of preliminary pharmacological test show that part of the novel compounds have antiemetic activity comparable to that of the control Ondansetron.

  2. Preparation of vinylogous 2-sulfonylindolines by the palladium-catalyzed heteroannulation of o-iodoanilines with dienyl sulfones and their further transformation to indoles and carbazoles.

    Science.gov (United States)

    Back, T G; Bethell, R J; Parvez, M; Taylor, J A

    2001-12-14

    The palladium-catalyzed heteroannulation of o-iodoanilines with dienyl sulfones provides a convenient route to vinylogous 2-sulfonylindolines 3. The reaction proceeds in DMF/water in the presence of potassium carbonate and catalytic palladium(II) acetate and is compatible with both electron-donating and -withdrawing substituents in the para position of the aniline, and with an alkyl substituent at C-2 of the dienyl sulfone. The indolines underwent oxidation with DDQ to afford the corresponding indoles 4. The latter were then employed as dienes in Diels-Alder reactions with dimethyl acetylenedicarboxylate (DMAD), methyl propiolate, or methyl acrylate. In the case of the latter two dienophiles, the cycloadditions were highly regioselective, affording the corresponding 1,3-products (with respect to the relative positions of the sulfone and ester groups), exclusively. The cycloadducts from acetylenic dienophiles were converted to the corresponding carbazoles by elimination of the sulfone moiety with DBU, and that from methyl acrylate was subjected to reductive desulfonylation and oxidation to the corresponding carbazole with DDQ. The method thus provides access to carbazoles with various substituents at the 3-, 4-, and 6-positions. PMID:11735543

  3. BC3EE2,9B, a synthetic carbazole derivative, upregulates autophagy and synergistically sensitizes human GBM8901 glioblastoma cells to temozolomide.

    Science.gov (United States)

    Chen, Chien-Min; Syu, Jhih-Pu; Way, Tzong-Der; Huang, Li-Jiau; Kuo, Sheng-Chu; Lin, Chung-Tien; Lin, Chih-Li

    2015-11-01

    Glioblastoma multiforme (GBM) is the most fatal form of human brain cancer. Although temozolomide (TMZ), an oral alkylating chemotherapeutic agent, improves the survival rate, the prognosis of patients with GBM remains poor. Naturally occurring carbazole alkaloids isolated from curry leaves (Murraya koenigii Spreng.) have been shown to possess a wide range of anticancer properties. However, the effects of carbazole derivatives on glioblastoma cells remain poorly understood. In the present study, anti‑glioblastoma profiles of a series of synthetic carbazole derivatives were evaluated in vitro. The most promising derivative in this series was BC3EE2,9B, which showed significant anti‑proliferative effects in GBM8401 and GBM8901 cells. BC3EE2,9B also triggered cell‑cycle arrest, most prominently at the G1 stage, and suppressed glioblastoma cell invasion and migration. Furthermore, BC3EE2,9B induced autophagy‑mediated cell death and synergistically sensitized GBM cells to TMZ cytotoxicity. The possible mechanism underlying BC3EE2,9B‑induced autophagy may involve activation of adenosine monophosphate-activated protein kinase and the attenuation of the Akt and mammalian target of the rapamycin downstream signaling pathway. Taken together, the present results provide molecular evidence for the mode of action governing the ability of BC3EE2,9B to sensitize drug‑resistant glioblastoma cells to the chemotherapeutic agent TMZ.

  4. Synthesis, biological evaluation and molecular modeling study of novel tacrine-carbazole hybrids as potential multifunctional agents for the treatment of Alzheimer's disease.

    Science.gov (United States)

    Thiratmatrakul, Supatra; Yenjai, Chavi; Waiwut, Pornthip; Vajragupta, Opa; Reubroycharoen, Prasert; Tohda, Michihisa; Boonyarat, Chantana

    2014-03-21

    New tacrine-carbazole hybrids were developed as potential multifunctional anti-Alzheimer agents for their cholinesterase inhibitory and radical scavenging activities. The developed compounds showed high inhibitory activity on acetylcholinesterase (AChE) with IC50 values ranging from 0.48 to 1.03 μM and exhibited good inhibition selectivity against AChE over butyrylcholinesterase (BuChE). Molecular modeling studies revealed that these tacrine-carbazole hybrids interacted simultaneously with the catalytic active site (CAS) and the peripheral anionic site (PAS) of AChE. The derivatives containing methoxy group showed potent ABTS radical scavenging activity. Considering their neuroprotection, our results indicate that these derivatives can reduce neuronal death induced by oxidative stress and β-amyloid (Aβ). Moreover, S1, the highest potency for both radical scavenging and AChE inhibitory activity, exhibited an ability to improve both short-term and long-term memory deficit in mice induced by scopolamine. Overall, tacrine-carbazole derivatives can be considered as a candidate with potential impact for further pharmacological development in Alzheimer's therapy.

  5. Theoretical Study on the Optical Properties for 2,7- and 3,6-Linked Carbazole Trimers by Time-dependent Density Functional Theory

    Institute of Scientific and Technical Information of China (English)

    WANG Han-Lu; WANG Xue-Ye; WANG Ling; WANG Heng-Liang; LIU Ai-Hong

    2007-01-01

    Electronic properties, such as HOMO and LUMO energies, band gaps, ionization potential (IP) and electron affinity (EA) of 2,7- and 3,6-linked carbazole trimers, two conjugated oligomers with different linkages of carbazole, were studied by the density functional theory with Becke-Lee-Young-Parr composite exchange correlation functional (B3LYP). The absorption spectra of these compounds were also investigated by time-dependent density functional theory (TD-DFT) with 6-31G* basis set. The calculated results indicated that the HOMO and LUMO of the 2,7- and 3,6-linked carbazole trimers are both slightly destabilized on going from methyl substitution to sec-butyl substitution. Both IP and EA exhibit their good hole-transporting but poor electron-accepting ability. The presence of alkyl groups on the nitrogen atoms does not affect the intra-chain electronic delocalization along the molecular frame. Thus no significant effect on the band gap and absorption spectra of compounds has been found.

  6. Acidichromism in the Mixed Langmuir-Blodgett Films of Stearic Acid with a Carbazole-containing Schiff Base

    Institute of Scientific and Technical Information of China (English)

    LIU,Yao-Hu(刘耀虎); LIU,Ming-Hua(刘鸣华)

    2002-01-01

    A new Schiff base containing carbazole group (CzSB) was synthesized. Although the compound can not form stable monolayer at air/water interface itself, it does form stable monolayers by mixing with stearic acids as verified from the surface pressure-area measurements. The mixed monolayers can be deposited by vertical dipping method. UV Spectroscopic studies of the mixed LB films reveal a broadening and red shift of the absorption spectra compared to those of CzSB in the ethanol solution, which confirms the formation of organized aggregates of the compounds in the mixed LB films. An ordered LB film was obtained as confirmed by using low-angle X-ray diffraction.The mixed LB film shows acidichromism, that is, the colors of theLB films can be reversibly changed upon exposing to HCl and NH3 gas alternatively. On the basis of FT-IR measurement, it is proposed fhat the protontatopm of the imine group in the compound is the reason for the acidichromism.

  7. Facile Synthesis and High performance of a New Carbazole-Based Hole Transporting Material for Hybrid Perovskite Solar Cells

    KAUST Repository

    Wang, Hong

    2015-06-26

    Perovskite solar cells are very promising for practical applications owing to their rapidly rising power conversion efficiency and low cost of solution-based processing. 2,2’,7,7’-tetrakis-(N,N-di-p-methoxyphenylamine) 9,9’-spirobifluorene (Spiro-OMeTAD) is most widely used as hole transporting material (HTM) in perovskite solar cells. However, the tedious synthesis and high cost of Spiro-OMeTAD inhibit its commercial-scale application in the photovoltaic industry. In this article, we report a carbazole-based compound (R01) as a new HTM in efficient perovskite solar cells. R01 is synthesized via a facile route consisting of only two steps from inexpensive commercially available materials. Furthermore, R01 exhibits higher hole mobility and conductivity than the state-of-the-art Spiro-OMeTAD. Perovskite solar cells fabricated with R01 produce a power conversion efficiency of 12.03%, comparable to that obtained in devices using Spiro-OMeTAD in this study. Our findings underscore R01 as a highly promising HTM with high performance, and its facile synthesis and low cost may facilitate the large-scale applications of perovskite solar cells.

  8. Synthesis, structure and properties of zinc(II) coordination polymers with 9H-carbazole-2,7-dicarboxylic acid

    Science.gov (United States)

    Yi, Xiu-Chun; Xi, Fu-Gui; Wang, Kun; Su, Zhao; Gao, En-Qing

    2013-10-01

    From a new dicarboxylate ligand, 9H-carbazole-2,7-dicarboxylic acid (2,7-H2CDC), three Zn(II) metal-organic frameworks were synthesized in the absence or presence of ditopic N-donor ligands. They are formulated as [Zn5(μ3-OH)2(2,7-CDC)4(DEF)2] (1) (DEF=N,N-diethylformamide), [Zn2(2,7-CDC)2(DABCO)(H2O)]·5DMF·H2O (2) (DABCO=1-diaza-bicyclo[2.2.2]octane, DMF=N,N-dimethylformamide), and [Zn2(2,7-CDC)2(bpea)]·3DMA·2 H2O (3) (bpea=1,2-bis(4-pyridyl)ethylane, DMA=N,N-dimethylacetamide). Compounds 1 and 3 display the 3D pcu frameworks. In 1 the unusual pentanuclear [Zn5(μ3-OH)2(COO)8] secondary building units (SBUs) are linked by dicarboxylate ligands. Differently, in 3 the well-known paddle-wheel [Zn2(COO)4] SBUs are linked by dicarboxylate and dipyridyl ligands. Compound 2 shows the rare self-catenated 3D alb-3,6-C2/c net topology based on the dinuclear paddle-wheel SBU and a mononuclear unit. The stability and fluorescent properties of the compounds have been studied.

  9. 9-[(E-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-ylethenyl]-9H-carbazole

    Directory of Open Access Journals (Sweden)

    Yuki Hatayama

    2012-01-01

    Full Text Available The title compound, C20H22BNO2, is a simple olefinic compound which carries both B and N atoms that are trans to one another. The π-conjugated system of the compound is considered to be isoelectronic with 1,3-butadiene. There are two independent molecules in the asymmetric unit in which the environments around the boron atoms are essentially planar (r.m.s. deviations of 0.0032 and 0.0021 Å for the BO2C planes. The dihedral angles of the olefinic planes with the boron planes are 5.70 (11 and 9.74 (9°, respectively, while the dihedral angles of the olefinic planes with the carbazole planes are 19.37 (3 and 10.74 (6°. These dihedral angles are consistent with those in 9-ethenylcarbazole and an ethenylboronic ester derivative. The N—Csp2, B—Csp2 and C=C bond lengths suggest that the contribution of the canonical structure can be described as N+=C—C=B−.

  10. A novel donor-acceptor polymeric electrochromic material containing carbazole and 1,8-naphtalimide as subunit

    Energy Technology Data Exchange (ETDEWEB)

    Koyuncu, Fatma Baycan, E-mail: fatmabaycan@hotmail.co [Department of Chemistry, Faculty of Sciences and Arts, Canakkale Onsekiz Mart University, 17020 Canakkale (Turkey); Koyuncu, Sermet [Can Vocational School, Canakkale Onsekiz Mart University, 17400 Canakkale (Turkey); Ozdemir, Eyup, E-mail: eozdemir@comu.edu.t [Department of Chemistry, Faculty of Sciences and Arts, Canakkale Onsekiz Mart University, 17020 Canakkale (Turkey)

    2010-07-01

    We report here the synthesis of a novel polymeric electrochromic material containing carbazole (Cbz)-donor and 1,8-napthalimide-acceptor as subunit. The band gap E{sub g} was measured using UV-vis spectroscopy and compared with that obtained by cyclic voltammetry (CV). Due to intramolecular electron transfer from Cbz-donor to 1,8-napthalimide-acceptor, the fluorescence quenching was observed. When the spectro-electrochemical and electrochromic properties of polymer film were investigated, various tones of green color were obtained on the polymeric film. In the positive regime, the polymer film obtained thereby is dark green resulting from the association of carbazolylium cation radicals at oxidized state and then it can be bleached by electrochemical reduction. Besides, in the negative regime, yellowish green color of film converted to blue attributed to reduction of the 1,8-napthalimide moiety. Finally, the polymeric electrochromic exhibits multi-electrochromic behavior, high redox stability, high coloration efficiency and reasonable response time.

  11. A novel donor-acceptor polymeric electrochromic material containing carbazole and 1,8-naphtalimide as subunit

    International Nuclear Information System (INIS)

    We report here the synthesis of a novel polymeric electrochromic material containing carbazole (Cbz)-donor and 1,8-napthalimide-acceptor as subunit. The band gap Eg was measured using UV-vis spectroscopy and compared with that obtained by cyclic voltammetry (CV). Due to intramolecular electron transfer from Cbz-donor to 1,8-napthalimide-acceptor, the fluorescence quenching was observed. When the spectro-electrochemical and electrochromic properties of polymer film were investigated, various tones of green color were obtained on the polymeric film. In the positive regime, the polymer film obtained thereby is dark green resulting from the association of carbazolylium cation radicals at oxidized state and then it can be bleached by electrochemical reduction. Besides, in the negative regime, yellowish green color of film converted to blue attributed to reduction of the 1,8-napthalimide moiety. Finally, the polymeric electrochromic exhibits multi-electrochromic behavior, high redox stability, high coloration efficiency and reasonable response time.

  12. Charge carrier mobility in conjugated organic polymers: simulation of an electron mobility in a carbazole-benzothiadiazole-based polymer

    Science.gov (United States)

    Li, Yaping; Lagowski, Jolanta B.

    2011-08-01

    Inorganic (mostly silicon based) solar cells are important devices that are used to solve the world energy and environmental needs. Now days, organic solar cells are attracting considerable attention in the field of photovoltaic cells because of their low cost and processing flexibility. Often conjugated polymers are used in the construction of the organic solar cells. We study the conjugated polymers' charge transport using computational approach that involves the use of the density functional theory (DFT), semiempirical (ZINDO), and Monte Carlo (MC) theoretical methods in order to determine their transfer integrals, reorganization energies, transfer rates (with the use of Marcus-Hush equation) and mobilities. We employ the experimentally determined three dimensional (3D) structure of poly(9,9'-di-n-octylfluorene-alt-benzothiadiazole) (F8BT) to estimate the electron mobility in a similar co-alternating polymer consisting of carbazole and benzothiadiazole units (C8BT). In agreement with our previous work, we found that including an orientational disorder in the crystal reduces the electron mobility in C8BT. We hope that the proposed computational approach can be used to predict charge mobility in organic materials that are used in solar cells.

  13. Nitrogen-containing microporous conjugated polymers via carbazole-based oxidative coupling polymerization: preparation, porosity, and gas uptake.

    Science.gov (United States)

    Chen, Qi; Liu, De-Peng; Luo, Min; Feng, Li-Juan; Zhao, Yan-Chao; Han, Bao-Hang

    2014-01-29

    Facile preparation of microporous conjugated polycarbazoles via carbazole-based oxidative coupling polymerization is reported. The process to form the polymer network has cost-effective advantages such as using a cheap catalyst, mild reaction conditions, and requiring a single monomer. Because no other functional groups such as halo groups, boric acid, and alkyne are required for coupling polymerization, properties derived from monomers are likely to be fully retained and structures of final polymers are easier to characterize. A series of microporous conjugated polycarbazoles (CPOP-2-7) with permanent porosity are synthesized using versatile carbazolyl-bearing 2D and 3D conjugated core structures with non-planar rigid conformation as building units. The Brunauer-Emmett-Teller specific surface area values for these porous materials vary between 510 and 1430 m(2) g(-1) . The dominant pore sizes of the polymers based on the different building blocks are located between 0.59 and 0.66 nm. Gas (H2 and CO2 ) adsorption isotherms show that CPOP-7 exhibits the best uptake capacity for hydrogen (1.51 wt% at 1.0 bar and 77 K) and carbon dioxide (13.2 wt% at 1.0 bar and 273 K) among the obtained polymers. Furthermore, its high CH4 /N2 and CO2 /N2 adsorption selectivity gives polymer CPOP-7 potential application in gas separation.

  14. A carbazole alkaloid deactivates mTOR through the suppression of rictor and that induces apoptosis in lung cancer cells.

    Science.gov (United States)

    Chatterjee, Priyajit; Seal, Soma; Mukherjee, Sandip; Kundu, Rakesh; Bhuyan, Mantu; Barua, Nabin C; Baruah, Pranab K; Babu, Santi Prasad Sinha; Bhattacharya, Samir

    2015-07-01

    Non-small cell lung cancer (NSCLC) is known to be a difficult cancer to treat because of its poor prognosis, limited option for surgery, and resistance to chemo or radiotherapy. In this study, we have demonstrated that suppression of rictor expression in A549 and H1299 NSCLC cells by mahanine, a carbazole alkaloid, disrupted constitutive activation of mTOR and Akt. Mahanine suppression of rictor gene expression and consequent attenuation of its protein expression affected the inhibition of mTOR (Ser-2481) and Akt (Ser-473) phosphorylation. Since mahanine treatment revealed this new insight of rictor-mTOR relationship, we examined an association between mTOR activation with rictor expression. Interestingly, in rictor knockdown (KD) NSCLC cells, mTOR activation was significantly impaired. Transfection of rictor over-expression vector into the NSCLC cells reversed this situation. In fact, both rictor KD and mahanine treated cells showed considerably depleted phospho-mTOR level. These results indicate that rictor is required to maintain constitutive activation of mTOR in lung cancer cells. When mTOR kinase activity in rictor KD cells was examined with Akt as substrate, a significant reduction of Akt phosphorylation indicated impairment of mTOR kinase potentiality. Disruption of mTOR and Akt activation caused drastic mortality of NSCLC cancer cells through apoptosis. Hence, our study reveals a new dimension in mTOR-rictor relationship, where rictor stands to be a suitable therapeutic target for lung cancer. PMID:25893736

  15. Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.

    Science.gov (United States)

    Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K

    2016-09-16

    A straightforward synthesis of aryl and heteroaryl-annulated cyclo[b]carbazoles has been developed via SnCl4-mediated one-pot arylation, cyclization and aromatization reaction sequence from 3-acetyl/aroyl-2-pivaloyloxymethylindoles. The starting material is easily accessible from commercially available 2-methylindole via Friedel-Crafts acylation, bromination and pivaloylation. Remarkably, electron withdrawing/donating aroyl units including heterocyclic systems are well tolerated in the present domino reaction protocol. Furthermore, this methodology could be extended to the synthesis of dibenzofurocarbazole via bis-annulation of 2,5-bis(2-pivaloyloxymethyl)pyrrole. PMID:27564513

  16. Synthesis of novel precursors of Pfitzinger reaction: A facile one-pot strategy to the synthesis of quinoline carboxylic acid derivatives of pyrazolo-carbazoles and azacarbazoles

    Indian Academy of Sciences (India)

    Ruchi Tyagi; Bhawani Singh; D Kishore

    2012-03-01

    Interaction of 5-indazolyldiazonium chloride 2 with 2-hydroxymethylidene cyclohexanone 5 and -benzyl-3-hydroxymethylidene-4-piperidone 6 under the conditions of Japp-Klingemann reaction, followed by Fischer-indolization of the resulting hydrazones, formed the 5,7,8,9-tetrahydropyrazolo[4,3-b]carbazol- 6(1)-one 9 and 9-benzyl-5,7,8,9-tetrahydropyrido[2',3':4,5]pyrrolo[2,3-f]indazol-6(1)-one 10, respectively. Pfitzinger reaction of 9 and 10 with isatin in alkali afforded the corresponding quinoline carboxylic acid derivatives 12 and 13, respectively.

  17. 5′,11′-Dihydrodispiro[cyclohexane-1,6′-indolo[3,2-b]carbazole-12′,1′′-cyclohexane

    Directory of Open Access Journals (Sweden)

    Ilia A. Guzei

    2012-01-01

    Full Text Available The title compound, C28H30N2, is a symmetrical 2:2 product from the condensation of indole and cyclohexanone. It is the only reported 5,11-dihydroindolo[3,2-b]carbazole compound in which the spiro atoms are quaternary C atoms. Crystals were grown by vapor diffusion in a three-zone electric furnace. The molecule resides on a crystallographic inversion center. The cyclohexyl rings are in a slightly distorted chair conformation, whereas the indole units and the spiro-carbons are coplanar within 0.014 Å.

  18. Morphological, dielectric and electrical conductivity characteristics of clay-containing nanohybrids of poly(N-vinyl carbazole) and polypyrrole.

    Science.gov (United States)

    Haldar, Ipsita; Biswas, Mukul; Nayak, Arabinda; Ray, Suprakas Sinha

    2012-10-01

    Poly(N-vinyl carbazole) (PNVC) and polypyrrole (PPY)-montmorillonite (MMT) clay hybrids were prepared by mechanical grinding of the respective monomers with MMT followed by subsequent standard processing methods. Fourier transform infrared spectroscopic studies confirmed the inclusion of the polymers in the composites. The morphologies of the hybrids were investigated by transmission electron microscopic techniques, which suggested the formation of intercalated structures. X-ray diffraction analyses indicated the enhancement of 'd001' values in MMT implying intercalation of the polymers into the nano-interlamellar spaces of MMT. The dielectric constants of PNVC-MMT hybrids were improved (60-180) relative to the homopolymer (3-6) in the frequency range 0.1-25 kHz. PPY-MMT hybrid also showed significantly higher values of dielectric constant (2000-4000) relative to the corresponding base polymers. These variations were dependent on the MMT/polymer feed ratio in the frequency range (1-25 kHz). This feature could manifest from the characteristic differences in the interfaces between the grains and grain boundaries of the composites, which control the dielectric properties of the system. Relaxation behavior for the composites was explained by considering the Maxwell-Wagner two-layered dielectric models. The ac conductivity was found to be dependent on frequency in the entire frequency range of study (100 Hz to 25 kHz), which indicated that the composites had few free charges for conduction, and frequency dependent conductivity was due to trapped charges in the grain boundary.

  19. Morphological, dielectric and electrical conductivity characteristics of clay-containing nanohybrids of poly(N-vinyl carbazole) and polypyrrole.

    Science.gov (United States)

    Haldar, Ipsita; Biswas, Mukul; Nayak, Arabinda; Ray, Suprakas Sinha

    2012-10-01

    Poly(N-vinyl carbazole) (PNVC) and polypyrrole (PPY)-montmorillonite (MMT) clay hybrids were prepared by mechanical grinding of the respective monomers with MMT followed by subsequent standard processing methods. Fourier transform infrared spectroscopic studies confirmed the inclusion of the polymers in the composites. The morphologies of the hybrids were investigated by transmission electron microscopic techniques, which suggested the formation of intercalated structures. X-ray diffraction analyses indicated the enhancement of 'd001' values in MMT implying intercalation of the polymers into the nano-interlamellar spaces of MMT. The dielectric constants of PNVC-MMT hybrids were improved (60-180) relative to the homopolymer (3-6) in the frequency range 0.1-25 kHz. PPY-MMT hybrid also showed significantly higher values of dielectric constant (2000-4000) relative to the corresponding base polymers. These variations were dependent on the MMT/polymer feed ratio in the frequency range (1-25 kHz). This feature could manifest from the characteristic differences in the interfaces between the grains and grain boundaries of the composites, which control the dielectric properties of the system. Relaxation behavior for the composites was explained by considering the Maxwell-Wagner two-layered dielectric models. The ac conductivity was found to be dependent on frequency in the entire frequency range of study (100 Hz to 25 kHz), which indicated that the composites had few free charges for conduction, and frequency dependent conductivity was due to trapped charges in the grain boundary. PMID:23421146

  20. Synthesis and characterization of a novel multicolored electrochromic polymer based on a vinylene-linked EDOT-carbazole monomer

    International Nuclear Information System (INIS)

    A novel heterocycle-based monomer (BEDOT-V-NEtCz) is designed and synthesized using 3,4-ethylenedioxythiophene (EDOT) as the end units and 3,6-linked N-ethyl-carbazole (NEtCz) as the inner unit spaced by vinylene (V). The monomer BEDOT-V-NEtCz can be electrochemically oxidized at a very low onset potential of 0.41 V vs SCE. The resulting electroactive polymer (PBEDOT-V-NEtCz) is electrochemically synthesized by cyclic voltammetry (CV) method and its electrochromic properties are reported. Characterizations of PBEDOT-V-NEtCz film are performed by CV, scanning electron microscopy (SEM) and differential scanning calorimeter (DSC). Spectroelectrochemical analysis reveals that PBEDOT-V-NEtCz film shows multicolored electrochromism: brick-red in the reduced state, sky-blue in the oxidized state and three intermediate colors (brown at 0.2 V, olive green at 0.4 V and blue-green at 0.6 V vs SCE). The color changes are accompanied by good optical contrasts of 50% at 759 nm and 27% at 470 nm, respectively. Kinetic studies reveal that the switching time of PBEDOT-V-NEtCz film are 1.2s (759 nm) and 1.9s (470 nm) for the bleaching process and 1.4s (759 nm) and 1.8s (470 nm) for the coloration process (95% of the full ΔT%), respectively. The resultant polymer could be useful as the active layers in electrochromic devices

  1. Effects of carbazole-degradative plasmid pCAR1 on biofilm morphology in Pseudomonas putida KT2440.

    Science.gov (United States)

    Lee, Seunguk; Takahashi, Yurika; Oura, Hiromu; Suzuki-Minakuchi, Chiho; Okada, Kazunori; Yamane, Hisakazu; Nomura, Nobuhiko; Nojiri, Hideaki

    2016-04-01

    Bacteria typically form biofilms under natural conditions. To elucidate the effect of the carriage of carbazole-degradative plasmid pCAR1 on biofilm formation by host bacteria, we compared the biofilm morphology, using confocal laser scanning microscopy, of three pCAR1-free and pCAR1-carrying Pseudomonas hosts: P. putida KT2440, P. aeruginosa PAO1 and P. fluorescens Pf0-1. Although pCAR1 did not significantly affect biofilm formation by PAO1 or Pf0-1, pCAR1-carrying KT2440 became filamentous and formed flat biofilms, whereas pCAR1-free KT2440 formed mushroom-like biofilms. pCAR1 contains three genes encoding nucleoid-associated proteins (NAPs), namely, Pmr, Pnd and Phu. The enhanced filamentous morphology was observed in two double mutants [KT2440(pCAR1ΔpmrΔpnd) and KT2440(pCAR1ΔpmrΔphu)], suggesting that these NAPs are involved in modulating the filamentous phenotype. Transcriptome analyses of the double mutants identified 32 candidate genes that may be involved in filamentation of KT2440. Overexpression of PP_2193 in KT2440 induced filamentation and overexpression of PP_0308 or PP_0309 in KT2440(pCAR1) enhanced filamentation of cells over time. This suggests that pCAR1 induces development of an abnormal filamentous morphology by KT2440 via a process involving overexpression of several genes, such as PP_2193. In addition, pCAR1-encoded NAPs partly suppress too much filamentation of KT2440(pCAR1) by repressing transcription of some genes, such as PP_0308 and PP_0309. PMID:26743211

  2. Doped and non-doped organic light-emitting diodes based on a yellow carbazole emitter into a blue-emitting matrix

    CERN Document Server

    Choukri, H; Forget, S; Chenais, S; Castex, M C; Geffroy, B; Ades, D; Siove, A; Choukri, Hakim; Fischer, Alexis; Forget, Sebastien; Chenais, Sebastien; Castex, Marie-Claude; Geffroy, Bernard; Ades, Dominique; Siove, Alain

    2007-01-01

    A new carbazole derivative with a 3,3'-bicarbazyl core 6,6'-substituted by dicyanovinylene groups (6,6'-bis(1-(2,2'-dicyano)vinyl)-N,N'-dioctyl-3,3'-bicarbazyl; named (OcCz2CN)2, was synthesized by carbonyl-methylene Knovenagel condensation, characterized and used as a component of multilayer organic light-emitting diodes (OLEDs). Due to its -donor-acceptor type structure, (OcCz2CN)2 was found to emit a yellow light at max=590 nm (with the CIE coordinates x=0.51; y = 0.47) and was used either as a dopant or as an ultra-thin layer in a blue-emitting matrix of 4,4'-bis(2,2'-diphenylvinyl)-1,1'-biphenyl (DPVBi). DPVBi (OcCz2CN)2-doped structure exhibited, at doping ratio of 1.5 weight %, a yellowish-green light with the CIE coordinates (x = 0.31; y = 0.51), an electroluminescence efficiency EL=1.3 cd/A, an external quantum efficiency ext= 0.4 % and a luminance L= 127 cd/m2 (at 10 mA/cm2) whereas for non-doped devices utilizing the carbazolic fluorophore as a thin n...

  3. 咔唑比色法测定掺假蜂蜜中果胶的含量%Determination of Pectin Content in Adulteration Honey by Carbazole Colorimetry

    Institute of Scientific and Technical Information of China (English)

    任雪梅; 胡梅; 周传静; 王文特; 吴裕健

    2011-01-01

    A method for determination of pectin content in honey was established by carbazole colorimetry. The pectin was extracted by 63 % hot ethonal to remove the sugar in honey. The results showed that the top grade concentrated sulphurie acid should be used during the experience. And the ethonal, which was used to dilute carbazole, should be pured. The recovery of pectin was 88.2% ~ 94.6% with the detectable limit of 0.15 mg/kg.%建立了咔唑比色法测定蜂蜜中掺假果胶含量的方法.采用63%热乙醇溶液洗除蜂蜜中的糖分,提取试样中的果胶.结果表明,试验过程中试剂要采用优级纯浓硫酸,配制咔唑显色剂的乙醇使用前要进行精制.半乳糖醛酸的加标回收率为88.2%-94.6%,检出限为0.15 mg/kg.

  4. Indolo[3,2-b]carbazole-based multi-donor-π-acceptor type organic dyes for highly efficient dye-sensitized solar cells

    Science.gov (United States)

    Qian, Xing; Shao, Li; Li, Hongmei; Yan, Rucai; Wang, Xiaoying; Hou, Linxi

    2016-07-01

    Four novel indolo[3,2-b]carbazole-based multi-donor-π-acceptor type organic dyes QX01-04 have been designed, synthesized, and applied for dye-sensitized solar cells. These dyes consist of an indolo[3,2-b]carbazole core acting as the main donor group, a couple of groups such as ethylbenzene, N,N-diethylaniline, ethyloxylbenzene, and octyloxylbenzene acting as the secondary donors. The photophysical, electrochemical, and theoretical studies indicate that the four dyes are all capable as the photosensitizers. When introducing N,N-diethylaniline as the secondary donor, QX02 exhibits a broader absorption region and significantly improved IPCE values, which ensured a good light-harvesting ability and a high Jsc of 15.2 mA cm-2. Finally, QX02-based cell achieved a high efficiency of 8.09% which is very close to that of the commercial N719-based cell (8.26%) under 100 mW cm-2 irradiation.

  5. Synthesis and biological evaluation of novel 1,2,4-triazine derivatives bearing carbazole moiety as potent α-glucosidase inhibitors.

    Science.gov (United States)

    Wang, Guangcheng; Wang, Jing; He, Dianxiong; Li, Xin; Li, Juan; Peng, Zhiyun

    2016-06-15

    A new series of 1,2,4-triazine derivatives bearing carbazole moiety 7a-7p were designed, synthesized, and evaluated for their α-glucosidase inhibitory activity. The majority of the screened compounds displayed potent α-glucosidase inhibitory activity, with IC50 values in the range of 4.27±0.07-47.75±0.25μM as compared to the standard drug acarbose. Among the series, compound 7k represented the most potent α-glucosidase inhibitory activity with IC50 values of 4.27±0.07μM. Kinetic analysis revealed that compound 7k is a non-competitive inhibitor with a Ki of 4.43μM. Furthermore, the binding interactions of compound 7k with α-glucosidase was confirmed through molecular docking. This study showed these 1,2,4-triazine derivatives bearing carbazole moiety as a new class of α-glucosidase inhibitors. PMID:27177827

  6. 7H-dibenzo[c,g]carbazole metabolism by the mouse and human CYP1 family of enzymes.

    Science.gov (United States)

    Shertzer, Howard G; Genter, Mary B; Talaska, Glenn; Curran, Christine P; Nebert, Daniel W; Dalton, Timothy P

    2007-06-01

    Found in tobacco smoke, fossil fuel and other organic combustion products, 7H-dibenzo[c,g]carbazole (DBC) is a potent mouse lung carcinogen and potential human carcinogen. Although the first hydroxylation is critical for determining activation versus detoxication, the enzymes responsible for site-specific hydroxylation of DBC are not known. We found that DBC-DNA adduct levels are significantly higher in aromatic hydrocarbon receptor null Ahr(-/-) mice, suggesting that the induction of Aromatic hydrocarbon receptor (AHR)-regulated genes, such as those in the CYP1 family, decrease DBC genotoxicity. Using knockout mice for Cyp1a1, Cyp1a2 and Cyp1b1, we showed that the major CYP1 enzymes that metabolize DBC are CYP1A1 in beta-naphthoflavone (BNF)-induced liver, CYP1A2 in non-induced liver, CYP1B1 and CYP1A1 in induced lung and none in non-induced lung. DBC metabolism by the human CYP1 enzymes was examined in vitro using Supersomestrade mark. Each mouse CYP1, as well as each human CYP1, has a unique DBC metabolite profile. Comparison of the metabolite profile in BNF-induced mice suggested that CYP1A1 primarily generates 1-OH, 2-OH and (5 + 6)-OH-DBC, whereas CYP1A2 generates primarily (5 + 6)-OH-DBC and CYP1B1 primarily generates 4-OH-DBC. This was similar to that observed in the human CYP1 enzymes. Most importantly, lung CYP1B1 is associated with forming 4-OH-DBC, the most potent metabolite leading to DBC-DNA adducts. These studies suggest that for non-pulmonary routes of exposure (i.e. skin, gastric, i.p.), low hepatic expression of CYP1A2 and CYP1A1, together with high expression levels of lung CYP1B1 and CYP1A1, may define a phenotype for high susceptibility to carcinogens such as DBC.

  7. Synthesis of indolo[3,2-b]carbazole-based random copolymers for polymer solar cell applications

    Energy Technology Data Exchange (ETDEWEB)

    Chan, Li-Hsin, E-mail: lhchan@ncnu.edu.tw [Department of Applied Materials and Optoelectronic Engineering, National Chi Nan University, Nantou, Taiwan 54561, ROC (China); Lin, Lu-Chi; Yao, Chi-Han [Department of Applied Materials and Optoelectronic Engineering, National Chi Nan University, Nantou, Taiwan 54561, ROC (China); Liu, You-Ren; Jiang, Zong-Jhih [Department of Applied Chemistry, National Chi Nan University, Nantou, Taiwan 54561, ROC (China); Cho, Ting-Yu [Department of Applied Materials and Optoelectronic Engineering, National Chi Nan University, Nantou, Taiwan 54561, ROC (China)

    2013-10-01

    In addition to preparing two indolocarbazole-based random copolymers (named as r-PICTBT1 and r-PICTBT2), this work investigated their feasibility for bulk heterojunction polymer solar cells (PSCs). These copolymers consisted of commercially available 3,9-dibromo-5,11-dioctyl-5,11-dihydroindole[3,2-b]carbazole, 2,5-bis(trimethylstannyl) thiophene and dibromobenzo[c][1,2,5]thiadiazole by varying the feed in ratios via Stille cross-coupling reactions. The photophysical and electrochemical properties of the resulting copolymers could be fine-modulated easily by adjusting the feed ratios of monomers. Both copolymers in the thin film state exhibited two obvious peaks and a vibronic shoulder in the absorption spectra. Electrochemical experiments indicated that the highest occupied molecular orbital energy levels were − 4.95, − 5.00 eV; meanwhile, the lowest unoccupied molecular orbital energy levels were − 3.38, − 3.54 eV for r-PICTBT1 and r-PICTBT2, respectively. Bulk heterojunction PSCs composed of an electron-donor copolymer blended with an electron acceptor [6,6]-phenyl-C61-butyric acid methyl ester (PC{sub 61}BM) or [6,6]-phenyl-C71-butyric acid methyl ester (PC{sub 71}BM) at a weight ratio of 1:1 or 1:3 were investigated. Moreover, the r-PICTBT2/PC{sub 71}BM-based (w/w = 1:1) PSC performed the best with an open-circuit voltage of 0.54 V, short-circuit current of 6.83 mA/cm{sup 2}, fill factor of 0.44, and power conversion efficiency of 1.63%. - Highlights: • We report two indolocarbazole-based copolymers for photovoltaic applications. • Two copolymers exhibited excellent thermal stability. • Energy levels of copolymers can be modulated by varying the monomers ratios. • Increasing of planar monomer content leads to a relatively smooth morphology. • The optimal device performance reached a power conversion efficiency of 1.63%.

  8. White light-emitting nanocomposites based on an oxadiazole–carbazole copolymer (POC) and InP/ZnS quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Bruno, Annalisa, E-mail: annalisa.bruno@enea.it; Borriello, Carmela, E-mail: carmela.borriello@enea.it; Di Luccio, Tiziana, E-mail: tiziana.diluccio@enea.it; Nenna, Giuseppe [Centro Ricerche Portici, ENEA, UTTP NANO (Italy); Sessa, Lucia [University of Salerno, Department of Pharmacy (Italy); Concilio, Simona [University of Salerno, Department of Industrial Engineering (Italy); Haque, Saif A. [Imperial College London, Chemistry Department (United Kingdom); Minarini, Carla [Centro Ricerche Portici, ENEA, UTTP NANO (Italy)

    2013-11-15

    In this work, we studied energetic and optical proprieties of a polyester-containing oxadiazole and carbazole units that we will indicate as POC. This polymer is characterized by high photoluminescence activity in the blue region of the visible spectrum, making it suitable for the development of efficient white-emitting organic light emission devices. Moreover, POC polymer has been combined with two red emitters InP/ZnS quantum dots (QDs) to obtain nanocomposites with wide emission spectra. The two types of QDs have different absorption wavelengths: 570 nm [InP/ZnS(570)] and 627 nm [InP/ZnS(627)] and were inserted in the polymer at different concentrations. The optical properties of the nanocomposites have been investigated and compared to the ones of the pure polymer. Both spectral and time resolved fluorescence measurements show an efficient energy transfer from the polymer to QDs, resulting in white-emitting nanocomposites.

  9. Novel conjugated polymers based on dithieno[3,2-b:6,7-b]carbazole for solution processed thin-film transistors.

    Science.gov (United States)

    Chen, Yagang; Liu, Chengfang; Tian, Hongkun; Bao, Cheng; Zhang, Xiaojie; Yan, Donghang; Geng, Yanhou; Wang, Fosong

    2012-10-26

    Two conjugated polymers (CPs) P-tCzC12 and P-tCzC16 comprising alternating dithieno[3,2-b:6,7-b]carbazole and 4,4'-dihexadecyl-2,2'-bithiophene units have been designed and synthesized. Upon thermal annealing, they can form ordered thin films in which the polymer backbones dominantly adopted an edge-on orientation respective to the substrate with a lamellar spacing of ≈24 Å and a π-stacking distance of ≈3.7 Å. Organic thin-film transistors (OTFTs) were fabricated by solution casting. A hole mobility of 0.39 cm(2) V(-1) s(-1) has been demonstrated with P-tCzC16. This value is the highest among the CPs containing heteroacenes larger than 4 rings.

  10. Photophysics and non-linear absorption of Au(I) and Pt(II) acetylide complexes of a thienyl-carbazole chromophore.

    Science.gov (United States)

    Goswami, Subhadip; Wicks, Geoffrey; Rebane, Aleksander; Schanze, Kirk S

    2014-12-21

    In order to understand the photophysics and non-linear optical properties of carbazole containing π-conjugated oligomers of the type ET-Cbz-TE (E = ethynylene, T = 2,5-thienylene, Cbz = 3,6-carbazole), a detailed investigation was carried out on a series of oligomers that feature Au(i) or Pt(ii) acetylide "end groups", as well as a Pt(ii)-acetylide linked polymer (CBZ-Au-1 and CBZ-Pt-1, CBZ-Poly-Pt). These organometallic chromophores were characterized by UV-visible absorption and variable temperature photoluminescence spectroscopy, nanosecond transient absorption spectroscopy, open aperture nanosecond z-scan and two photon absorption (2PA) spectroscopy. The Au(i) and Pt(ii) oligomers and polymer exhibit weak fluorescence in fluid solution at room temperature. Efficient phosphorescence is observed from the Pt(ii) systems below 150 K in a solvent glass; however, the Au(i) oligomer exhibits only weak phosphorescence at 77 K. Taken together, the emission results indicate that the intersystem crossing efficiency for the Pt(ii) chromophores is greater than for the Au(i) oligomer. Nonetheless, nanosecond transient absorption indicates that direct excitation affords moderately long-lived triplet states for all of the chromophores. Open aperture z-scan measurement shows effective optical attenuation can be achieved by using these materials. The 2PA cross section in the degenerate S0→S1 transition region was in the range 10-100 GM, and increased monotonically toward shorter wavelengths, reaching 800-1000 GM at 550 nm.

  11. Synthesis and luminescent properties of star-burst D-π-A compounds based on 1,3,5-triazine core and carbazole end-capped phenylene ethynylene arms

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zheng [Department of Applied Chemistry, Nanjing Tech University, Nanjing 210009 (China); Liu, Rui, E-mail: rui.liu@njtech.edu.cn [Department of Applied Chemistry, Nanjing Tech University, Nanjing 210009 (China); Zhu, Xiaolin [Department of Applied Chemistry, Nanjing Tech University, Nanjing 210009 (China); Li, Yuhao [Department of Chemistry, Fudan University, 220 Handan Road, Shanghai 200433 (China); Chang, Jin [Queensland University of Technology, 2 George St., Brisbane 4000 (Australia); Zhu, Hongjun, E-mail: zhuhjnjut@hotmail.com [Department of Applied Chemistry, Nanjing Tech University, Nanjing 210009 (China); Ma, Liangwei; Lv, Wangjie; Guo, Jun [Department of Applied Chemistry, Nanjing Tech University, Nanjing 210009 (China)

    2014-12-15

    Two new star-burst compounds based on 1,3,5-triazine core and carbazole end-capped phenylene ethynylene arms (1a and 1b) were synthesized and characterized. Their photophysical properties were investigated systematically via spectroscopic and theoretical methods. Both compounds exhibit strong {sup 1}π–π{sup ⁎} transitions in the UV region and intense {sup 1}π–π{sup ⁎}/intramolecular charge transfer ({sup 1}ICT) absorption bands in the UV–vis region. Introducing the carbazole end-capped phenylene ethynylene arm on the 1,3,5-triazine core causes a slight bathochromic shift and enhanced molar extinction coefficient of the {sup 1}π–π{sup ⁎}/{sup 1}ICT transition band. Both compounds are emissive in solution at room temperature and 77 K, which exhibit pronounced positive solvatochromic effect. The emitting state could be ascribed to {sup 1}ICT state in more polar solvent, and {sup 1}π–π{sup ⁎} state in low-polarity solvent. The high emission quantum yields (Φ{sub em}=0.90∼1.0) of 1a and 1b (in hexane and toluene) make them potential candidates as efficient light-emitting materials. The spectroscopic studies and theoretical calculations indicate that the photophysical properties of these compounds can be tuned by the carbazole end-capped phenylene ethynylene arm, which would also be useful for rational design of photofunctional materials. - Highlights: • Star-burst compounds based on 1,3,5-triazine core and carbazole end-capped phenylene ethynylene arms. • Photophysical properties of target compounds were investigated systematically via spectroscopic and theoretical methods. • The relatively high fluorescence quantum yields make them potential candidates as light-emitting materials.

  12. Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(−)-P7C3-S243], with Improved Druglike Properties

    OpenAIRE

    Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M.

    2014-01-01

    (−)-P7C3-S243 is a neuroprotective aminopropyl carbazole with improved druglike properties compared with previously reported compounds in the P7C3 class. It protects developing neurons in a mouse model of hippocampal neurogenesis and protects mature neurons within the substantia nigra in a mouse model of Parkinson’s disease. A short, enantioselective synthesis provides the neuroprotective agent in optically pure form. It is nontoxic, orally bioavailable, metabolically stable, and able to cros...

  13. Synthesis and luminescent properties of star-burst D-π-A compounds based on 1,3,5-triazine core and carbazole end-capped phenylene ethynylene arms

    International Nuclear Information System (INIS)

    Two new star-burst compounds based on 1,3,5-triazine core and carbazole end-capped phenylene ethynylene arms (1a and 1b) were synthesized and characterized. Their photophysical properties were investigated systematically via spectroscopic and theoretical methods. Both compounds exhibit strong 1π–π⁎ transitions in the UV region and intense 1π–π⁎/intramolecular charge transfer (1ICT) absorption bands in the UV–vis region. Introducing the carbazole end-capped phenylene ethynylene arm on the 1,3,5-triazine core causes a slight bathochromic shift and enhanced molar extinction coefficient of the 1π–π⁎/1ICT transition band. Both compounds are emissive in solution at room temperature and 77 K, which exhibit pronounced positive solvatochromic effect. The emitting state could be ascribed to 1ICT state in more polar solvent, and 1π–π⁎ state in low-polarity solvent. The high emission quantum yields (Φem=0.90∼1.0) of 1a and 1b (in hexane and toluene) make them potential candidates as efficient light-emitting materials. The spectroscopic studies and theoretical calculations indicate that the photophysical properties of these compounds can be tuned by the carbazole end-capped phenylene ethynylene arm, which would also be useful for rational design of photofunctional materials. - Highlights: • Star-burst compounds based on 1,3,5-triazine core and carbazole end-capped phenylene ethynylene arms. • Photophysical properties of target compounds were investigated systematically via spectroscopic and theoretical methods. • The relatively high fluorescence quantum yields make them potential candidates as light-emitting materials

  14. Substitution of Carbazole Modified Fluorenes as π-Extension in Ru(II Complex-Influence on Performance of Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Malapaka Chandrasekharam

    2011-01-01

    Full Text Available A new high molar extinction coefficient ruthenium(II bipyridyl complex “cis-Ru(4,4-bis(9,9-dibutyl-7-(3,6-di-tert-butyl-9H-carbazol-9-yl-9H-fluoren-2-yl-2,2-bipyridine(2,2-bipyridine-4,4-dicarboxylic acid(NCS2, BPFC” has been synthesized and characterized by FT-IR, 1H-NMR, and ESI-MASS spectroscopes. The sensitizer showed molar extinction coefficient of 18.5×103 M−1cm−1, larger as compared to the reference N719, which showed 14.4×103 M−1cm−1. The test cells fabricated using BPFC sensitizer employing high performance volatile electrolyte, (E01 containing 0.05 M I2, 0.1 M LiI, 0.6 M 1,2-dimethyl-3-n-propylimidazolium iodide, 0.5 M 4-tert-butylpyridine in acetonitrile solvent, exhibited solar-to-electric energy conversion efficiency (η of 4.65% (short-circuit current density (SC = 11.52 mA/cm2, open-circuit voltage (OC = 566 mV, fill factor = 0.72 under Air Mass 1.5 sunlight, lower as compared to the reference N719 sensitized solar cell, fabricated under similar conditions, which exhibited η-value of 6.5% (SC = 14.3 mA/cm2, OC = 640 mV, fill factor = 0.71. UV-Vis measurements conducted on TiO2 films showed decreased film absorption ratios for BPFC as compared to those of reference N719. Staining TiO2 electrodes immediately after sonication of dye solutions enhanced film absorption ratios of BPFC relative to those of N719. Time-dependent density functional theory (TD-DFT calculations show higher oscillation strengths for 4,4-bis(9,9-dibutyl-7-(3,6-di-tert-butyl-9H-carbazol-9-yl-9H-fluoren-2-yl-2,2-bipyridine relative to 2,2-bipyridine-4,4-dicarboxylic acid and increased spectral response for the corresponding BPFC complex.

  15. Structural insight into the substrate- and dioxygen-binding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9a-dioxygenase

    Directory of Open Access Journals (Sweden)

    Ashikawa Yuji

    2012-06-01

    Full Text Available Abstract Background Dihydroxylation of tandemly linked aromatic carbons in a cis-configuration, catalyzed by multicomponent oxygenase systems known as Rieske nonheme iron oxygenase systems (ROs, often constitute the initial step of aerobic degradation pathways for various aromatic compounds. Because such RO reactions inherently govern whether downstream degradation processes occur, novel oxygenation mechanisms involving oxygenase components of ROs (RO-Os is of great interest. Despite substantial progress in structural and physicochemical analyses, no consensus exists on the chemical steps in the catalytic cycles of ROs. Thus, determining whether conformational changes at the active site of RO-O occur by substrate and/or oxygen binding is important. Carbazole 1,9a-dioxygenase (CARDO, a RO member consists of catalytic terminal oxygenase (CARDO-O, ferredoxin (CARDO-F, and ferredoxin reductase. We have succeeded in determining the crystal structures of oxidized CARDO-O, oxidized CARDO-F, and both oxidized and reduced forms of the CARDO-O: CARDO-F binary complex. Results In the present study, we determined the crystal structures of the reduced carbazole (CAR-bound, dioxygen-bound, and both CAR- and dioxygen-bound CARDO-O: CARDO-F binary complex structures at 1.95, 1.85, and 2.00 Å resolution. These structures revealed the conformational changes that occur in the catalytic cycle. Structural comparison between complex structures in each step of the catalytic mechanism provides several implications, such as the order of substrate and dioxygen bindings, the iron-dioxygen species likely being Fe(III-(hydroperoxo, and the creation of room for dioxygen binding and the promotion of dioxygen binding in desirable fashion by preceding substrate binding. Conclusions The RO catalytic mechanism is proposed as follows: When the Rieske cluster is reduced, substrate binding induces several conformational changes (e.g., movements of the nonheme iron and the ligand

  16. Synthesis and photovoltaic performance of novel polymeric metal complex sensitizer with benzodithiophene or carbazole derivative as donor in dye-sensitized solar cell

    Science.gov (United States)

    Liao, Yanlong; Hu, Jiaomei; Zhu, Chunxiao; Liu, Ye; Chen, Xu; Chen, Chenqi; Zhong, Chaofan

    2016-03-01

    Four donor-acceptor (D-A) types of novel conjugated polymeric metal complex dyes (P1-P4) with Zn (II) or Cd (II) complexes as the electron acceptors and benzodithiophene or carbazole derivative as the electron donors were designed and prepared, as promising sensitizers for dye-sensitized solar cells (DSSCs). Diaminomaleonitrile acted as ancillary ligand. The structures of the polymers were confirmed, and their thermal, optical, electrochemical, and photovoltaic properties were investigated. All conjugated polymers exhibit good thermal stability with onset decomposition temperatures with 5% weight loss over 315 °C, broad absorption with the onset of absorption at 588 nm in the visible region, and relatively lower HOMO energy levels from -5.54 to -5.71 eV. The DSSC device based on P2 which containing Cd(II) as coordination metal ion and benzodithiophene derivative as donor exhibited the highest power conversion efficiency of 2.18% under the AM 1.5 G (100 mW cm-2) sunlight illumination with an open-circuit voltage of Voc = 0.68 V, a short current density of Jsc = 4.85 mA cm-2, and a fill factor of FF = 66.2%, respectively. Therefore, these results provide a new way to design dye sensitizers for DSSCs.

  17. A rectifying diode with hysteresis effect from an electroactive hybrid of carbazole-functionalized polystyrene with CdTe nanocrystals via electrostatic interaction

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    One of the strategies to tune current-voltage behaviors in organic diodes is to combine field-induced charge transfer processes with schottky barrier.According to this principle,a rectifying diode with hysteresis effect was fabricated utilizing a hybrid of electroactive polystyrene derivative covalently tethered with electron-donor carbazole moieties and electrostatic linked with electron-acceptor CdTe nanocrystals.Current-voltage characteristics show an electrical switching behavior with some hysteresis is only observed under a negative bias,with three orders of On/Off current ratio.The hybrid material based rectifier exhibits a rectification ratio of six and its maximum rectified output current is about 5 × 10-5 A.The asymmetric switching is interpreted as the result of both field induced charge transfer and schottky barrier,capable of reducing the misreading of cross-bar memory.Meanwhile,chemical doping of CdTe nanocrystals instead of physical blend favor their uniform dispersion in matrix and stable operation of device.

  18. Synthesis, Crystal Structure and Theoretical Studies of (E)-1-((9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl)methylene)thiosemicarbazide

    Institute of Scientific and Technical Information of China (English)

    LIU Yan-Qiu; ZHANG Zhi-Wen; LI Dan-Dan; ZHOU Hong-Ping; TIAN Yu-Peng; WU Jie-Ying

    2013-01-01

    A novel thiosemicarbazide derivative,(E)-1-(9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl) methylene)-thiosemicarbazide (CMT),was synthesized and structurally characterized by IR,1H-NMR,EI-MS and single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P21/c with a =14.769(5),b =8.279(5),c =17.166(5) (A),β =114.391(5)°,V=1911.6(14) (A)3,Z =4,F(000) =784,Dc =1.287 g/m3,Mr =370.47,μ =0.190 mm-1,the final R =0.0390 and wR =0.1358 for 1446 observed reflections with I > 2σ(Ⅰ).The UV-vis absorption spectra of CMT were explained based on quantum chemical calculations,using time dependent density functional theory (TD-DFT) at the B3LYP/6-31G (d) level.

  19. Carboxylate ligands induced structural diversity of zinc(II) coordination polymers based on 3,6-bis(imidazol-1-yl)carbazole: Syntheses, structures and photocatalytic properties

    Science.gov (United States)

    Cheng, Hong-Jian; Tang, Hui-Xiang; Shen, Ya-Li; Xia, Nan-Nan; Yin, Wen-Yu; Zhu, Wei; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin

    2015-12-01

    Solvothermal reactions of Zn(NO3)2·6H2O with 3,6-bis(1-imidazolyl)carbazole (3,6-bmcz) and 1,4-benzenedicarboxylic acid (1,4-H2bdc), p-phenylenediacetic acid (p-H2pda), benzophenone-4,4-dicarboxylic acid (H2bpda) afforded three coordination polymers [Zn(1,4-bdc)(3,6-bmcz)]n (1), {[Zn(p-pda)(3,6-bmcz)]·1.5H2O}n (2) and {[Zn(bpda)(3,6-bmcz)]·0.25H2O}n (3). Complexes 1-3 were characterized by elemental analysis, IR, powder X-ray diffraction, and single-crystal X-ray diffraction. Complex 1 shows 3D structure with 2D nets inclined polycatenation. Complexes 2 and 3 possess an extended 3D supramolecular architecture based on their respective 2D layers through hydrogen-bonding interactions and the π···π stacking interactions. The solid state luminescent and optical properties of 1-3 at ambient temperature were also investigated. A comparative study on their photocatalytic activity toward the degradation of methylene blue in polluted water was explored.

  20. D-π-A-π-A Strategy to Design Benzothiadiazole-carbazole-based Conjugated Polymer with High Solar Cell Voltage and Enhanced Photocurrent.

    Science.gov (United States)

    Zhou, Manxi; Wang, Min; Zhu, Lei; Yang, Zhenqing; Jiang, Chao; Cao, Dapeng; Li, Qifang

    2015-12-01

    The theoretical calculations are used to find that D-π-A-π-A style conjugated polymer PC-TBTBT is more efficient for solar cells application than the D-π-A analog PC-TBT because the D-π-A-π-A structure has a narrower band gap and higher molar absorption coefficient and redshift spectrum. Motivated by the theoretical prediction, 5,6-bis(octyloxy)-2,1,3-benzothiadiazole and 2,7-carbazole are adopted to synthesize the D-π-A-π-A style PC-TBTBT (M(w) = 31.1 kDa) and D-π-A analog PC-TBT (M(w) = 87.5 kDa) by Suzuki coupling reaction. Experimental results confirm that D-π-A-π-A PC-TBTBT-based solar cell shows a power conversion efficiency (PCE) of 4.74% with high V(OC) of 0.99 V and enhanced J(SC) of 9.70 mA cm(-2). The PCE and J(SC) achieve improvements of 17% and 26%, respectively, compared to the D-π-A PC-TBT-based solar cell.

  1. The Role of Porphyrin-Free-Base in the Electronic Structures and Related Properties of N-Fused Carbazole-Zinc Porphyrin Dye Sensitizers

    Directory of Open Access Journals (Sweden)

    Xing-Yu Li

    2015-11-01

    Full Text Available Dye sensitizers can significantly affect power conversion efficiency of dye-sensitized solar cells (DSSCs. Porphyrin-based dyes are promising sensitizers due to their performances in DSSCs. Here, based upon a N-fused carbazole-zinc porphyrin-free-base porphyrin triad containing an ethynyl-linkage (coded as DTBC, the novel porphyrin dyes named DTBC-MP and DTBC-TP were designed by varying the porphyrin-free-base units in the π conjugation of DTBC in order to study the effect of porphyrin-free-base in the modification of electronic structures and related properties. The calculated results indicate that, the extension of the conjugate bridge with the porphyrin-free-base unit results in elevation of the highest occupied molecular orbital (HOMO energies, decrease of the lowest unoccupied molecular orbital (LUMO energies, reduction of the HOMO-LUMO gap, red-shift of the absorption bands, and enhancement of the absorbance. The free energy changes demonstrate that introducing more porphyrin-free-base units in the conjugate bridge induces a faster rate of electron injection. The transition properties and molecular orbital characters suggest that the different transition properties might lead to a different electron injection mechanism. In terms of electronic structure, absorption spectra, light harvesting capability, and free energy changes, the designed DTBC-TP is a promising candidate dye sensitizer for DSSCs.

  2. Focused ion beam and field-emission microscopy of metallic filaments in memory devices based on thin films of an ambipolar organic compound consisting of oxadiazole, carbazole, and fluorene units

    Science.gov (United States)

    Pearson, Christopher; Bowen, Leon; Lee, Myung Won; Fisher, Alison L.; Linton, Katherine E.; Bryce, Martin R.; Petty, Michael C.

    2013-01-01

    We report on the mechanism of operation of organic thin film resistive memory architectures based on an ambipolar compound consisting of oxadiazole, carbazole, and fluorene units. Cross-sections of the devices have been imaged by electron microscopy both before and after applying a voltage. The micrographs reveal the growth of filaments, with diameters of 50 nm–100 nm, on the metal cathode. We suggest that these are formed by the drift of aluminium ions from the anode and are responsible for the observed switching and negative differential resistance phenomena in the memory devices.

  3. Red Emission of Eu(Ⅲ) Complex Based on 1-(7-(tert-butyl)-9-ethyl-9H-carbazol-2-yl)-4,4,4-trifluorobutane-1,3-dione Excited by Blue Light

    Institute of Scientific and Technical Information of China (English)

    Sheng-gui Liu; Wen-yi Su; Rong-kai Pan; Xiao-ping Zhou

    2012-01-01

    A new Eu(Ⅲ) complex,EuL3(phen),was synthesized,where L is the abbreviation of deprotonated 1-(7-(tert-butyl)-9-ethyl-9H-carbazol-2-yl)-4,4,4-trifluorobutane-1,3-dione (HL),phen is the abbreviation of 1,10-phenanthroline.The Eu(Ⅲ) complex was characterized by element analysis,IR,1H NMR,UV-visible absorption spectroscopy,thermogravimetric analysis (TGA),and photoluminescence measurements (PL).TGA shows that thermal stability of the complex is up to 325 ℃.PL measurement indicates that the Eu(Ⅲ) complex exhibits intense red-emission and extends their excitation bands to visible region.LEDs device was successfully fabricated by precoating complex EuL3(phen) onto 460 nm blue-emitting InGaN chip.The emission of device shows that the complex can act as red phosphor in combination with 460 nm blue-emitting chips.This europium complex based on 1-(7-(tert-butyl)-9-ethyl-9H-carbazol-2-yl)-4,4,4-trifluorobutane-1,3-dione is a kind of interesting red-emitting material excited by blue light,which could avoid the damage of excitation by UV light.

  4. Estudos fotoluminescentes em compostos de íons terras raras coordenados por um derivado carbazólico Photoluminescence studies in rare earth ions coordinated by a carbazolic derivative

    Directory of Open Access Journals (Sweden)

    Renata Figueredo Martins

    2010-01-01

    Full Text Available [RE(czb3(H2O2] complexes (where RE = Eu3+, Tb3+, Gd3+; and czb = 4-(9H-carbazol-9-ylbenzoato have been synthesized and characterized. The Gd3+ complex was used to determine the triplet state energy of the czb ligand. Photoluminescence measurements of the complexes have been carried out under UV excitation. The Tb3+ complex exhibited a strong green luminescence indicating an efficient antenna effect, whereas the Eu3+ complex showed low red luminescence and the Gd3+ complex a blue-green luminescence from the ligand. The luminescence lifetimes and quantum yields have also been measured for the evaluation of the spectroscopic behavior of the complexes.

  5. Spectrometric measurements and DFT studies on new complex of copper (II) with 2-((E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole.

    Science.gov (United States)

    Zhang, Haoyang; Hu, Jie; Zhao, Jianying; Zhang, Yu

    2016-11-01

    The molecular structure of a new complex of copper (II) with (E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole ([Cu2(emppc)2Cl2]Cl2) was optimized with B3LYP/LanL2DZ, PBE1PBE/LanL2DZ and M062X/LanL2DZ theoretical level. The ligand, (E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole (emppc), binds to Cu(II) ions with a bi-dentate mode, two Cl(-) serve as bridging ligand, each Cu(II) ion has a highly distorted tetrahedron coordination geometry. With M062X/LanL2DZ theoretical level, the calculated interaction energies of Cu(II) with coordination atoms N are between 183.3-200.0kJmol(-1) for α spin and 319.4-324.9kJmol(-1) for β spin, and interaction energies of Cu(II) with coordination atoms Cl atom are 248.0-252.4kJmol(-1) for α spin and 332.6-333.6kJmol(-1) for β spin. The experimental Fourier transform infrared spectrum was assigned. The calculated IR based on B3LYP/LanL2DZ, PBE1PBE/LanL2DZ and M062X/LanL2DZ methods were performed and compared with experimental results. The UV-Vis experimental spectra of [Cu2(emppc)2Cl2]Cl2 was measured in methanol solution. The calculated electronic spectrum was performed with TD/M062X and PCM-TD/M062X methods with LanL2DZ basis set. The nature bond orbital analysis and temperature dependence of the thermodynamic properties were calculated with the same methods. PMID:27285472

  6. Spectrometric measurements and DFT studies on new complex of copper (II) with 2-((E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole

    Science.gov (United States)

    Zhang, Haoyang; Hu, Jie; Zhao, Jianying; Zhang, Yu

    2016-11-01

    The molecular structure of a new complex of copper (II) with (E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole ([Cu2(emppc)2Cl2]Cl2) was optimized with B3LYP/LanL2DZ, PBE1PBE/LanL2DZ and M062X/LanL2DZ theoretical level. The ligand, (E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole (emppc), binds to Cu(II) ions with a bi-dentate mode, two Cl- serve as bridging ligand, each Cu(II) ion has a highly distorted tetrahedron coordination geometry. With M062X/LanL2DZ theoretical level, the calculated interaction energies of Cu(II) with coordination atoms N are between 183.3-200.0 kJ mol- 1 for α spin and 319.4-324.9 kJ mol- 1 for β spin, and interaction energies of Cu(II) with coordination atoms Cl atom are 248.0-252.4 kJ mol- 1 for α spin and 332.6-333.6 kJ mol- 1 for β spin. The experimental Fourier transform infrared spectrum was assigned. The calculated IR based on B3LYP/LanL2DZ, PBE1PBE/LanL2DZ and M062X/LanL2DZ methods were performed and compared with experimental results. The UV-Vis experimental spectra of [Cu2(emppc)2Cl2]Cl2 was measured in methanol solution. The calculated electronic spectrum was performed with TD/M062X and PCM-TD/M062X methods with LanL2DZ basis set. The nature bond orbital analysis and temperature dependence of the thermodynamic properties were calculated with the same methods.

  7. 32P-postlabeling analysis of DNA adduction in mice by synthetic metabolites of the environmental carcinogen, 7H-dibenzo[c,g]carbazole: chromatographic evidence for 3-hydroxy-7H-dibenzo[c,g]carbazole being a proximate genotoxicant in liver but not skin.

    Science.gov (United States)

    Schurdak, M E; Stong, D B; Warshawsky, D; Randerath, K

    1987-04-01

    The DNA adduction by the environmental carcinogen 7H-dibenzo[c,g]carbazole (DBC) and chemically synthesized 2-OH, 3-OH, and 4-OH metabolites of DBC was investigated in liver and skin of female CD-1 mice. After topical application to the skin of 37 mumol/kg of DBC or the phenolic metabolites, DNA adducts were measured by a 32P-post-labeling assay employing carrier-free [gamma-32P]ATP and ATP-deficient conditions. In liver, DBC produced four major and several minor chromatographically distinct adducts of as yet undetermined chemical structure. The adduct pattern elicited by 3-OH-DBC was qualitatively similar to the DBC adduct pattern, while this was not the case for 2-OH-DBC and 4-OH-DBC. On the basis of co-chromatography experiments under various conditions, the DBC and 3-OH-DBC adducts appeared identical, and the total of adduction elicited by these compounds in liver was substantial. Similar results were observed when DBC or 3-OH-DBC were administered i.p. As a major difference between the two compounds, one 3-OH-DBC adduct (no. 3) was 4.4- and 7.0-fold lower than the corresponding DBC adduct after i.p. and topical dosing, respectively. In skin, DBC produced two major adduct fractions after topical application, one of which could be chromatographically resolved into three subcomponents. Prominent adducts produced in skin DNA by each of the three metabolites were different from those elicited by DBC, and the level of adduction by the metabolites was significantly lower than that by DBC. Comparison of the skin and liver DBC-DNA adduct patterns after topical application of DBC showed that only one of the four major chromatographically resolved skin adducts corresponded to a major liver adduct (no. 3), and that total adduction in liver was 13.5-fold higher than in skin. These results suggested that activation of DBC to DNA-binding compounds in liver occurs through at least two pathways with 3-OH-DBC being a proximate carcinogen involved in the formation of most of the

  8. Highly efficient one-dimensional ZnO nanowire-based dye-sensitized solar cell using a metal-free, D-π-A-type, carbazole derivative with more than 5% power conversion.

    Science.gov (United States)

    Barpuzary, Dipankar; Patra, Anindya S; Vaghasiya, Jayraj V; Solanki, Bharat G; Soni, Saurabh S; Qureshi, Mohammad

    2014-08-13

    Hydrothermally grown one-dimensional ZnO nanowire (1D ZnO NW) and a newly synthesized metal-free, D-π-A type, carbazole dye (SK1) sensitizer-based photovoltaic device with a power conversion efficiency (PCE) of more than 5% have been demonstrated by employing the cobalt tris(2,2'-bipyridyl) redox shuttle. A short-circuit current density (Jsc) of ∼12.0 mA/cm(2), an open-circuit voltage (Voc) of ∼719 mV, and a fill factor (FF) of ∼65% have been afforded by the 1D ZnO NW-based dye-sensitized solar cell (DSSC) incorporating [Co(bpy)3](3+/2+) complex as the one-electron redox mediator. In contrast, the identical DSSC with traditional I3(-)/I(-) electrolyte has shown a Jsc ≈ 12.2 mA/cm(2), a Voc ≈ 629 mV, and a FF ≈ 62%, yielding a PCE of ∼4.7%. The persuasive role of the inherent superior electron transport property of 1D ZnO NWs in enhancing the device efficiency is evidenced from the impoverished performance of the DSSCs with photoanodes fabricated using ZnO nanoparticles (NPs). The DSSCs having ZnO NP-based photoanodes have achieved the PCEs of ∼3.6% and ∼3.2% using cobalt- and iodine-based redox electrolytes, respectively. The electronic interactions between the SK1 sensitizer and ZnO (NWs and NPs) to induce the photogenerated charge transfer from SK1 to the conduction band (CB) of ZnO are evidenced from the significant quenching of photoluminescence and exciton lifetime decay of SK1, when it is anchored onto the ZnO architectures. The energetics of the SK1 dye molecule are estimated by combining the spectroscopic and electrochemical techniques. The electronic distributions of SK1 dye molecule in its HOMO and LUMO energy levels are interpreted using density functional theory (DFT)-based calculations. The electron donor-π linker-acceptor (D-π-A) configuration of SK1 dye provides an intramolecular charge transfer within the molecule, prompting the electron migration from the carbazole donor to cyanoacrylic acceptor moiety via the oligo

  9. Hole transporting material 5, 10, 15-tribenzyl-5H-diindolo[3, 2-a:3′, 2′-c]-carbazole for efficient optoelectronic applications as an active layer

    Institute of Scientific and Technical Information of China (English)

    郑燕琼; William J.Potscavage Jr; 张建华; 魏斌; 黄荣娟

    2015-01-01

    In order to explore the novel application of the transparent hole-transporting material 5,10,15-tribenzyl-5H-diindolo[3,2-a:3′,2′-c]-carbazole (TBDI), in this article TBDI is used as an active layer but not a buffer layer in a pho-todetector (PD), organic light-emitting diode (OLED), and organic photovoltaic cell (OPV) for the first time. Firstly, the absorption and emission spectra of a blend layer comprised of TBDI and electron-transporting material bis-(2-methyl-8-quinolinate) 4-phenylphenolate (BAlq) are investigated. Based on the absorption properties, an organic PD with a peak absorption at 320 nm is fabricated, and a relatively-high detectivity of 2.44×1011 cm·Hz1/2/W under 320-nm illumination is obtained. The TBDI/tris (8-hydroxyquinoline) aluminum (Alq3) OLED device exhibits a comparable external quantum efficiency and current efficiency to a traditional 4, 4-bis[N-(1-naphthyl)-N-phenyl-amino]biphenyl (α-NPD)/Alq3 OLED. A C70-based Schottky junction with 5 wt%-TBDI yields a power conversion efficiency of 5.0%, which is much higher than 1.7%for anα-NPD-based junction in the same configuration. These results suggest that TBDI has some promising properties which are in favor of the hole-transporting in Schottky junctions with low-concentration donor.

  10. 手性固定相法拆分咔唑羧酸衍生物对映异构体%Enantiomeric Resolution of Carbazole Derivates with a Chiral Stationary Phase

    Institute of Scientific and Technical Information of China (English)

    于兆文; 李梅晔; 陶偌偈; 倪林

    2001-01-01

    用直链淀粉-三(3,5-二甲基苯基氨基甲酸酯)手性固定相,在正相条件下首次拆分了6种咔唑羧酸衍生物对映异构体。考察了流动相中不同的酸性添加剂、不同的正丙醇浓度对样品保留和拆分的影响。%Six pairs of enantiomeric compounds of carbazole derivatives were separated by high performance liquid chromatography using an amylosetris (3,5-dimethylphenylcarbamate) chiral column made in our laboratory. The mob I le phases were mixtrues of different content ofn-hexane, n-propanol and a little amount of acidic additives. It was found that the stronger the acid added, the better the separation. All the enantiomers were baseline separated with a mobile phase comtaining 1% trifluoroacetic acid and 5% n-propanol. The effect of sam ple structure on the retention factor was discussed. When the carboxylic chain of the sample became longer, the retention factor became smaller. When the sample was halogenated, the retention factor increased along with the increasing of the molecular weight of the samples.

  11. Polymer light-emitting diodes based on cationic iridium(III) complexes with a 1,10-phenanthroline derivative containing a bipolar carbazole-oxadiazole unit as the auxiliary ligand

    Science.gov (United States)

    Tang, Huaijun; Wei, Liying; Meng, Guoyun; Li, Yanhu; Wang, Guanze; Yang, Furui; Wu, Hongbin; Yang, Wei; Cao, Yong

    2014-11-01

    A 1,10-phenanthroline derivative (co-phen) containing a bipolar carbazole-oxadiazole unit was synthesized and used as the auxiliary ligand in cationic iridium(III) complexes [(ppy)2Ir(co-phen)]PF6 (ppy: 2-phenylpyridine) and [(npy)2Ir(co-phen)]PF6 (npy: 2-(naphthalen-1-yl)pyridine). Two complexes have high thermal stability with the glass-transition temperatures (Tg) of 207 °C and 241 °C, and the same 5% weight-reduction temperatures (ΔT5%) of 402 °C. Both of them were used as phosphorescent dopants in solution-processed polymer light-emitting diodes (PLEDs): ITO/PEDOT: PSS/PVK: PBD: complex (mass ratios 100: 40: x, x = 1.0, 2.0, and 4.0)/CsF/Al. The maximum luminances of the PLEDs using [(ppy)2Ir(co-phen)]PF6 and [(npy)2Ir(co-phen)]PF6 were 12567 cd m-2 and 11032 cd m-2, the maximum luminance efficiencies were 17.3 cd A-1 and 20.4 cd A-1, the maximum power efficiencies were 9.8 lm W-1 and 10.3 lm W-1, and the maximum external quantum efficiencies were 9.3% and 11.4% respectively. The CIE color coordinates were around (0.37, 0.57) and (0.44, 0.54) respectively, corresponding to the yellow green region.

  12. Study on the Synthesis of 3,6-Disubstituted Asymmetric Carbazole Derivatives%3,6-位不对称二取代咔唑衍生物的合成研究

    Institute of Scientific and Technical Information of China (English)

    赵三虎; 刘瑞琴; 亢丽娜; 葛海霞; 赵明根

    2011-01-01

    以咔唑为主要合成原料,通过N-烷基化、付克酰基化、硝化以及付克烷基化等反应合成了两个结构新颖的3,6-位不对称二取代咔唑衍生物.探讨了原料摩尔比、催化剂用量、反应温度及反应时间等因素对反应的影响,得到最佳反应条件:(1)傅克酰基化反应:n(N-乙基咔唑):n(三氯化铝):n(乙酰氯)=1:1.2:1.5,反应温度室温,反应时间4h,产品收率82%;(2)硝化反应:n(N-乙基咔唑):n(65%硝酸)=1:1.15,反应温度5~10℃,反应时间2h,产品收率89%;(3)傅克烷基化反应:n(3-乙酰基-N-乙基咔唑):n(氯化锌):n(叔丁基氯)=1:1.5:1.5,反应温度室温,反应时间12 h,产品收率64%.所得产品结构经FTIR、1 H NMR、13C NMR、及MS表征.%With carbazole as mainly synthetic material,two novel compounds of 3,6-disubstituted asymmetric carbazole derivatives were prepared by a serious of reactions, such as N- alkylation,Friedel-Crafts acyla-tion, nitration and Friedel-Crafts alkylation. The factors affected the reactions,such as the mol ratio of substrates, the quantity of catalyst,reaction temperature and reaction time were explored and the optimum reaction conditions are as follows; (1) For the reaction of Friedel-Crafts acylation,with the mol ratio 1 : 1. 2 ':1. 5 of N-ethylcarbazole,anhydrous aluminum chloride and acetyl chloride,82% yield of the product was obtained at room temperature for 4 h;(2) For the reaction of nitration, with the mol ratio 1:1. 15 of the N-ethylcarbazole and 65% nitric,89% yield of the object product was obtained at 5 - 10 °C for 2 h;(3) For the reaction of Friedel-Crafts alkylation, with the mol ratio 1 : 1. 5 : 1. 5 of 3-acetyl-N-ethylcarbazol,anhydrous zinc chloride and tert. -butyl chloride,64% yield of the product was obtained at room temperature for 12 h. The structures of object products were characterized by FTIR、1H NMR、13C NMR and MS.

  13. Solution phase photophysics of 5,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one: Analysing the lineaments of a new fluorosensor to probe different micro-environments

    Energy Technology Data Exchange (ETDEWEB)

    Mitra, Amrit Krishna [Department of Clinical and Experimental Pharmacology, School of Tropical Medicine, Kolkata 700073 (India); Ghosh, Sujay; Sau, Abhishek [Chemical Sciences Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Saha, Chandan [Department of Clinical and Experimental Pharmacology, School of Tropical Medicine, Kolkata 700073 (India); Basu, Samita, E-mail: samita.basu@saha.ac.in [Chemical Sciences Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India)

    2015-11-15

    We present here a detailed photophysical study of a newly synthesised fluorophore 5,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one (KTHC-57). Spectroscopic investigation of the compound has been carried out in 14 different protic and aprotic solvents, as well as in different binary solvent mixtures, using absorption, steady-state and time-resolved fluorescence techniques. The spectral behaviour of this compound is found to be extremely sensitive to the polarity and hydrogen bonding nature of the solvent. When considered in micelles, reverse micelles and β-cyclodextrin, KTHC-57 behaves as a reporter of its immediate microenvironment. Extent of hypsochromic shift varies as we move from cationic surfactant cetyltrimethylammonium bromide (~40 nm) to anionic surfactant sodium dodecyl sulphate (~23 nm) to non-ionic surfactant Triton X-100 (~37 nm). In case of anionic reverse micellar nanocavities composed of sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/heptane with increasing water contents, a bathochromic shift of ~50 nm is observed. A quantitative assessment of the emission intensity data on Benesi–Hildebrand equation reveals a 1:1 stoichiometry for KTHC-57:β-CD complex. Triethylamine (TEA) is a simple aliphatic organic molecule that interacts with KTHC-57 in polar aprotic medium. Within β-CD environment, fluorescence quenching takes place along with a bathochromic shift. Interaction of (TEA) with KTHC-57 in β-CD nano-confinement is studied using absorption spectroscopy, steady-state as well as time-resolved fluorescence spectroscopy and laser flash photolysis in conjunction with an external magnetic field. - Highlights: • Excited state properties of KTHC-57 vary with its H-bonding environment. • KTHC-57 interacts differently in various microheterogeneous environments. • Benesi–Hildebrand equation reveals a 1:1 stoichiometry for KTHC-57:β-CD complex. • Organic base TEA quench KTHC-57 fluorescence in polar aprotic solvents. • PET takes place from

  14. Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order-disorder theory.

    Science.gov (United States)

    Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes

    2012-12-01

    During a systematic investigation of the crystallization behaviour of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole] (I), six single crystalline solvates were obtained and characterized by X-ray diffraction at 100 K. The structure of the hemi-2-butanone (MEK) solvate contains two crystallographically independent molecules of (I) related by pseudo-inversion symmetry. The structure is polytypic and composed of non-polar (I) layers and polar solvent layers. It can be described according to an extended order-disorder (OD) theory with relaxed vicinity condition. The observed polytype is of a maximum degree of order (MDO). Layer triples of the second MDO polytype are shown by twinning by inversion. The mono-benzene and mono-toluene solvates are isostructural. Whereas the (I) layers are isostructural to those of the idealized description of the hemi-MEK solvate, the solvent layers are non-polar, resulting in a fully ordered structure. The toluene molecule is ordered, the benzene molecule features disorder. The (I) layers in the sesqui-dioxane and sesqui-benzene solvates are isostructural and unrelated to those in the hemi-MEK, mono-benzene and mono-toluene solvates. The solvent layers are isopointal in both sesqui-solvates, but the stacking differs significantly. The hemi-dideuterodichloromethane (DCM-d(2)) solvate is made up of two kinds of (I) rods, spaced by DCM-d(2) molecules. Rods of one kind are similar to analogous rods in the sesqui-dioxane and the sesqui-benzene solvates, whereas rods of the other kind are only remotely related to rods in the hemi-MEK solvate.

  15. Hole transporting material 5, 10, 15-tribenzyl-5H-diindolo[3, 2-a:3‧, 2‧-c]-carbazole for efficient optoelectronic applications as an active layer

    Science.gov (United States)

    Zheng, Yan-Qiong; J. Potscavage, William, Jr.; Zhang, Jian-Hua; Wei, Bin; Huang, Rong-Juan

    2015-02-01

    In order to explore the novel application of the transparent hole-transporting material 5,10,15-tribenzyl-5H-diindolo[3,2-a:3‧,2‧-c]-carbazole (TBDI), in this article TBDI is used as an active layer but not a buffer layer in a photodetector (PD), organic light-emitting diode (OLED), and organic photovoltaic cell (OPV) for the first time. Firstly, the absorption and emission spectra of a blend layer comprised of TBDI and electron-transporting material bis-(2-methyl-8-quinolinate) 4-phenylphenolate (BAlq) are investigated. Based on the absorption properties, an organic PD with a peak absorption at 320 nm is fabricated, and a relatively-high detectivity of 2.44 × 1011 cm·Hz1/2/W under 320-nm illumination is obtained. The TBDI/tris (8-hydroxyquinoline) aluminum (Alq3) OLED device exhibits a comparable external quantum efficiency and current efficiency to a traditional 4, 4-bis[N-(1-naphthyl)-N-phenyl-amino]biphenyl (α-NPD)/Alq3 OLED. A C70-based Schottky junction with 5 wt%-TBDI yields a power conversion efficiency of 5.0%, which is much higher than 1.7% for an α-NPD-based junction in the same configuration. These results suggest that TBDI has some promising properties which are in favor of the hole-transporting in Schottky junctions with a low-concentration donor. Project supported by the Funding Program for World-Leading Innovative R & D on Science and Technology (FIRST) from JSPS, the Fund from the Science and Technology Commission of Shanghai Municipality, China (Grant Nos. 14DZ2280900 and 14XD1401800), and the Natural Science Foundation of Shanghai (Grant No. 15ZR1416600).

  16. Biological effects of 6-formylindolo[3,2-b]carbazole (FICZ) in vivo are enhanced by loss of CYP1A function in an Ahr2-dependent manner.

    Science.gov (United States)

    Wincent, Emma; Kubota, Akira; Timme-Laragy, Alicia; Jönsson, Maria E; Hahn, Mark E; Stegeman, John J

    2016-06-15

    6-Formylindolo[3,2-b]carbazole (FICZ) is a potent aryl hydrocarbon receptor (AHR) agonist that is efficiently metabolized by AHR-regulated cytochrome P4501 enzymes. FICZ is a proposed physiological AHR ligand that induces its own degradation as part of a regulatory negative feedback loop. In vitro studies in cells show that CYP1 inhibition in the presence of FICZ results in enhanced AHR activation, suggesting that FICZ accumulates in the cell when its metabolism is blocked. We used zebrafish (Danio rerio) embryos to investigate the in vivo effects of FICZ when CYP1A is knocked down or inhibited. Embryos were injected with morpholino antisense oligonucleotides targeting CYP1A (CYP1A-MO), Ahr2, or a combination of both. FICZ exposure of non-injected embryos or embryos injected with control morpholino had little effect. In CYP1A-MO-injected embryos, however, FICZ dramatically increased mortality, incidence and severity of pericardial edema and circulation failure, reduced hatching frequency, blocked swim bladder inflation, and strongly potentiated expression of Ahr2-regulated genes. These effects were substantially reduced in embryos with a combined knockdown of Ahr2 and CYP1A, indicating that the toxicity was mediated at least partly by Ahr2. Co-exposure to the CYP1 inhibitor alpha-naphthoflavone (αNF) and FICZ had similar effects as the combination of CYP1A-MO and FICZ. HPLC analysis of FICZ-exposed embryos showed increased levels of FICZ after concomitant CYP1A-MO injection or αNF co-exposure. Together, these results show that a functioning CYP1/AHR feedback loop is crucial for regulation of AHR signaling by a potential physiological ligand in vivo and further highlights the role of CYP1 enzymes in regulating biological effects of FICZ.

  17. 基于咔唑结构的共轭聚合物太阳能电池材料的合成及表征%Synthesis and Characterization of Carbazole Based Conjugated Polymer for Organic Photovoltaics

    Institute of Scientific and Technical Information of China (English)

    缴春明; 徐清; 周刚明

    2016-01-01

    A series of conjugated polymers are synthesized successfully from donor unit with three kinds of alkyls (-octyl, -isooctyl, -dodecyl) carbazole and acceptor unit based on 4,7-bis(5-bromo-3-hexylthiophen-2- yl)-5,6-difluoro-[2,1,3]benzothiadiazole via Suzuki coupling reaction. The influence of optical absorption properties and electrochemical energy levels from different kinds of alkyl chains is investigated. Compared with the copolymers of branching isooctyl chain and dodecyl possessing longer carbon chains, the copolymer replaced with octyl exhibits a wider absorption region and narrower optical band gap. Besides, the spacing ofπ-π stacking is found to be 4.13 Å via XRD spectra, open circuit voltage calculated by the theoretical formula reaches 1.15 V, which proves to be the suitable material for manufacturing the polymer solar cells.%通过Sukuzi偶联反应,分别以3种烷基(正辛基、异辛基和十二烷基)咔唑为给体单元,4,7-二(5-溴-3-己基噻吩-2-基)-5,6-二氟-[2,1,3]苯并噻二唑为受体单元,合成了一系列共轭聚合物,并研究了不同烷基链对聚合物光吸收性能和电化学能级的影响.结果表明:相比于支化的异辛基和较长碳链的十二烷基取代的聚合物,正辛基取代的聚合物有更广的吸收范围和较窄的光学带隙,通过XRD可知π-π堆积的间距为4.13Å;通过理论计算,其开路电压(VOC)可达1.15 V,更适合用作聚合物太阳能电池材料.

  18. Sustained induction of cytochrome P4501A1 in human hepatoma cells by co-exposure to benzo[a]pyrene and 7H-dibenzo[c,g]carbazole underlies the synergistic effects on DNA adduct formation

    Energy Technology Data Exchange (ETDEWEB)

    Gábelová, Alena, E-mail: alena.gabelova@savba.sk [Cancer Research Institute, Slovak Academy of Sciences, Vlárska 7, 833 91 Bratislava (Slovakia); Poláková, Veronika [Cancer Research Institute, Slovak Academy of Sciences, Vlárska 7, 833 91 Bratislava (Slovakia); Prochazka, Gabriela [Department of Biosciences and Nutrition, Karolinska Institute, Novum, SE-141 83 Huddinge (Sweden); Department of Medical Epidemiology and Biostatistics, Karolinska Institute, SE-171 77 Stockholm (Sweden); Kretová, Miroslava; Poloncová, Katarína; Regendová, Eva; Luciaková, Katarína [Cancer Research Institute, Slovak Academy of Sciences, Vlárska 7, 833 91 Bratislava (Slovakia); Segerbäck, Dan [Department of Biosciences and Nutrition, Karolinska Institute, Novum, SE-141 83 Huddinge (Sweden)

    2013-08-15

    To gain a deeper insight into the potential interactions between individual aromatic hydrocarbons in a mixture, several benzo[a]pyrene (B[a]P) and 7H-dibenzo[c,g]carbazole (DBC) binary mixtures were studied. The biological activity of the binary mixtures was investigated in the HepG2 and WB-F344 liver cell lines and the Chinese hamster V79 cell line that stably expresses the human cytochrome P4501A1 (hCYP1A1). In the V79 cells, binary mixtures, in contrast to individual carcinogens, caused a significant decrease in the levels of micronuclei, DNA adducts and gene mutations, but not in cell survival. Similarly, a lower frequency of micronuclei and levels of DNA adducts were found in rat liver WB-F344 cells treated with a binary mixture, regardless of the exposure time. The observed antagonism between B[a]P and DBC may be due to an inhibition of Cyp1a1 expression because cells exposed to B[a]P:DBC showed a decrease in Cyp1a1 mRNA levels. In human liver HepG2 cells exposed to binary mixtures for 2 h, a reduction in micronuclei frequency was also found. However, after a 24 h treatment, synergism between B[a]P and DBC was determined based on DNA adduct formation. Accordingly, the up-regulation of CYP1A1 expression was detected in HepG2 cells exposed to B[a]P:DBC. Our results show significant differences in the response of human and rat cells to B[a]P:DBC mixtures and stress the need to use multiple experimental systems when evaluating the potential risk of environmental pollutants. Our data also indicate that an increased expression of CYP1A1 results in a synergistic effect of B[a]P and DBC in human cells. As humans are exposed to a plethora of noxious chemicals, our results have important implications for human carcinogenesis. - Highlights: • B[a]P:DBC mixtures were less genotoxic in V79MZh1A1 cells than B[a]P and DBC alone. • An antagonism between B[a]P and DBC was determined in rat liver WB-F344 cells. • The inhibition of CYP1a1 expression by B[a]P:DBC mixture

  19. Research on Synthesis and Luminous Mechanism of a Soluble Blue-Light Luminescence Material Derived from Carbazole%一种基于咔唑的可溶性蓝光发光材料的合成与发光机理研究

    Institute of Scientific and Technical Information of China (English)

    李娟; 王华; 宋春丽; 张存; 张俊萍; 郝玉英; 许并社

    2011-01-01

    通过SN1亲核反应机理及SUZUKI偶联反应,设计并合成了一种含有咔唑及8-苄氧基喹啉基团的有机蓝光发光材料,即N-[6-(8-苄氧基喹啉基)-己基]咔唑(CzBQ).通过紫外-可见吸收光谱和荧光光谱等测试方法对其结构及光物理性能等进行了表征.研究结果表明:CzBQ为一种蓝光有机发光材料,其光学带隙为3.02 eV,在乙醇溶液中的发射峰波长为410 nm;CzBQ具有优良的溶解性和成膜性,适用于湿法制备蓝光有机电致发光器件.%In the present paper, a kind of blue light-emitting organic small molecule luminescent materials was designed and synthesized, which is composed of carbazole and 8-benzyloxyquinoline functional groups. Alkyl chain can effectively play the role of electron transfer barrier. The synthesis principle was on the basis of the mechanisms of Snlnucleophilic reaction and SUZUKI coupling reaction mechanisms. It is entitled N-[6-(8-benzylquinoline)-hexyl] carbazole(CzBQ). Its molecular structure was simulated and optimized by Gaussian03. Its chemical structure was identified by measurements of ultraviolet-visible spectra and H1 NMR spectra. It photo physical property was characterized by method of fluorescence spectra, t is indicated that CzBQ was a kind of blue-light luminescence material and its optical band gap is 3. 02 eV. Ethanol solution of CzBQ exhibits the maximal emission peak at 410 nm in photoluminescence spectra. In the luminescence process of CzBQ, carbazole groups and 8-benzylquin-oline groups were separately involved in excitation and light emission. This kind of blue-light luminescence material possesses excellent solubility, It can be dissolved in different solvents such as ethanol and ethyl acetate and dichloromethane. The test results of AFM show that CzBQ was provided with very good film formability. It is expected to be utilized in blue-light organic light-emitting device fabricated by wet method such as spin-coding method and screen

  20. Performance of spray deposited poly [N-9 Double-Prime -hepta-decanyl-2,7-carbazole-alt-5,5-(4 Prime ,7 Prime -di-2-thienyl-2 Prime ,1 Prime , 3 Prime -benzothiadiazole)]/[6,6]-phenyl-C61-butyric acid methyl ester blend active layer based bulk heterojunction organic solar cell devices

    Energy Technology Data Exchange (ETDEWEB)

    Saitoh, Leona [Department of Electrical Engineering, Aichi Institute of Technology, Toyota, Aichi 470-0392 (Japan); Babu, R. Ramesh [Crystal Growth and Thin Film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli-620 024, Tamil Nadu (India); Kannappan, Santhakumar; Kojima, Kenzo; Mizutani, Teruyoshi [Department of Electrical Engineering, Aichi Institute of Technology, Toyota, Aichi 470-0392 (Japan); Ochiai, Shizuyasu, E-mail: ochiai@aitech.ac.jp [Department of Electrical Engineering, Aichi Institute of Technology, Toyota, Aichi 470-0392 (Japan)

    2012-01-31

    Bulk heterojunction organic solar cell devices were fabricated using the spray deposited poly [N-9 Double-Prime -hepta-decanyl-2,7-carbazole-alt-5,5-(4 Prime ,7 Prime -di-2-thienyl-2 Prime ,1 Prime , 3 Prime -benzothiadiazole)]/[6,6]-phenyl-C61-butyric acid methyl ester blend active layer. The spray coating parameters such as spraying time, substrate-nozzle distance for the deposition of active layers were analyzed. Optical absorption of the active layers was analyzed using UV-visible spectral studies in the wavelength range from 300 to 800 nm. The surface morphology of the active layers deposited with different parameters was examined using atomic force microscopy. Surface morphology of the active layers deposited with the substrate-nozzle distance of 20 cm and for 20 s shows smooth morphology with peak-valley value of 4 nm. The devices fabricated using the selected active layer show overall power conversion efficiency of 1.08%. - Graphical abstract: Current-voltage (J-V) characteristics of spray deposited PCDTBT:PC{sub 61}BM active layer based solar cell device under illumination of AM 1.5 G, 100 mW/cm{sup 2}. Highlights: Black-Right-Pointing-Pointer Organic solar cells were fabricated using a spray deposited PCDTBT:PC61BM active layer. Black-Right-Pointing-Pointer The active layers deposited with spray conditions show flat morphology. Black-Right-Pointing-Pointer Using the selected active layers power conversion efficiency of 1.08% is obtained.

  1. Electronic transitions of fluorene, dibenzofuran, carbazole, and dibenzothiophene

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Trunk, John; Nakhimovsky, Lina;

    2010-01-01

    . Prediction of electronic transitions to excited singlet states was performed by using time-dependent density functional theory TD-B3LYP/6-31+G(d,p). Based on the experimental and theoretical results, symmetry assignments of electronic transitions in the vacuum and near-UV region are suggested...

  2. 75 FR 29719 - Carbazole Violet Pigment 23 From India: Continuation of Countervailing Duty Order

    Science.gov (United States)

    2010-05-27

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF COMMERCE... likely lead to continuation of countervailable subsidies, and material injury to an industry in the United States, the Department is publishing a notice of continuation of this CVD order. DATES:...

  3. SYNTHESIS AND PROPERTIES OF POLYACETYLENES CONTAINING CARBAZOLE AND AMINO ACID MOIETIES

    Institute of Scientific and Technical Information of China (English)

    瞿金清

    2009-01-01

    Novel 9-proparylcarbazole monomers containing amino acid moieties,2-N(tert-butoxycarbonyl)-L-alanine- 9-proparylcarbazole ester(1),2-N-(tert-butoxycarbonyl)-L-O-cyclohexyl-L-glutamic acid-9-proparylcarbazole ester(2) and 2-N-(tert-butoxycarbonyl)-L-phenylalanine-9-proparylcarbazole ester(3) were synthesized and polymerized with (nbd)Rh~+[η~6-C_6H_5B~-(C_6H_5)_3]to give the corresponding polymers with number-average molecular weights ranging from 7050 to 10500 in 70%-86%yields.The polymers were completely...

  4. SYNTHESIS AND PROPERTIES OF POLYACETYLENES CONTAINING CARBAZOLE AND AMINO ACID MOIETIES

    Institute of Scientific and Technical Information of China (English)

    Feng Jiang; Jin-qing Qu; Huan-qin Chen

    2009-01-01

    Novel 9-proparylcarbazole monomers containing amino acid moieties, 2-N-(tert-butoxycarbonyl)-L-alanine-9-proparylcarbazole ester (1), 2-N-(tert-butoxycarbonyl)-L-O-cyclohexyI-L-glutamic acid-9-proparylcarbazole ester (2) and 2-N-(tert-butoxycarbonyl)-L-phenylalanine-9-proparylcarbazole ester (3) were synthesized and polymerized with (nbd)Rh~+[η~6-C_6H_5B~-(C_6H_5)_3 ] to give the corresponding polymers with number-average molecular weights ranging from 7050 to 10500 in 70%-86% yields. The polymers were completely soluble in toluene, CHCl_3 , CH_2Cl_2, THF and DMSO, but insoluble in hexane, diethyl ether and MeOH. The specific rotation studies revealed that poly(1)-poly(3) do not took predominantly one-handed helical structures in the solvents although they possess chiral groups. The polymers emitted fluorescence in 0.40%-2.35% quantum yields. The cyclic voltammograms of the polymers indicated that the polymers exhibited electrochemical properties.

  5. TSDC and X-ray diffraction analysis of pure and malachite green sensitized polyvinyl carbazole films

    Science.gov (United States)

    Mishra, Pankaj Kumar; Mishra, Jyoti; Kathal, Rachana; Pandey, Hariom; Khare, P. K.

    2013-02-01

    This paper describes the method for investigating the electrical properties of high solids via the study of thermal relaxation effects and offers an alternative scheme to the conventional bridge methods or the current voltage temperature measurements. For standard TSD experiment, this is comparable to a dielectric loss measurement, the low equivalent frequency and high sensitivity (ability to detect dipole concentration). The activation energies found by initial rise method are 0.31 ± 0.02 eV for pure and 0.43 ± 0.03 eV for malachite green sensitized PVK thermoelectrets. The peak current charges and activation energy associated with the peaks are affected by concentration of malachite green and have been explained in terms of formation of charge transfer complexes and molecular aggregates. The microscopic origin of a given current spectrum is explained by comparing the predictions of the general theories regarding the main polarization processes with the experimental data.

  6. Hierarchical organization of Au nanoparticles in a poly(vinyl carbazole) matrix for hybrid electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sangkyu; Amarnath, Chellachamy A; Paik, Ungyu [Division of Advanced Materials Science Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Yoon, Seon-Mi; Shin, Hyeon-Jin; Joo, Won-Jae; Choi, Jae-Young [Display Device and Processing Laboratory, Samsung Advanced Institute of Technology, Yongin-si 449-712 (Korea, Republic of); Yi, Dong Kee [Gachon Bionano Research Institute, Kyungwon University, Sungnam-si, 461-701 (Korea, Republic of)], E-mail: pandora@hanyang.ac.kr, E-mail: sm76.yoon@samsung.com, E-mail: hyeonjin.shin@samsung.com, E-mail: wj.joo@samsung.com, E-mail: vitalis@kyungwon.ac.kr, E-mail: jaeyoung88.choi@samsung.com, E-mail: ca_amar@yahoo.com, E-mail: upaik@hanyang.ac.kr

    2008-02-20

    We report a novel one-step method for the preparation of hierarchically patterned Au nanoparticles in a conducting polymer matrix by controlling the interface properties between Au nanoparticles and the conducting polymer matrix. The terminal group of capping molecules for the Au nanoparticles was modified to change the interface properties, not to change the size of the Au nanoparticles which affects their intrinsic properties. By modulating the interface properties, it is possible to construct Au nanoparticle-conducting polymer composites with two different structures: one presents a triple layer in which the conducting polymer layer is sandwiched between Au nanoparticle layers at the top and bottom; the other exhibits a form like a raisin cake in which Au nanoparticles are homogeneously organized in the conducting polymer matrix. High-resolution transmission electron microscopy was used to study the morphology and patterning of Au nanoparticles in the conducting polymer matrix.

  7. An unprecedented benzannulation of oxindoles with enalcarbenoids: a regioselective approach to functionalized carbazoles.

    Science.gov (United States)

    Rathore, Kuldeep Singh; Lad, Bapurao Sudam; Chennamsetti, Haribabu; Katukojvala, Sreenivas

    2016-04-30

    A novel Rh(ii)/Brønsted acid catalyzed tandem benzannulation of oxindoles with enaldiazo carbonyls led to the formation of valuable 1-hydroxy-2-acylcarbazoles. This reaction is proposed to involve a formal insertion of a rhodium enalcarbenoid into an oxindole sp(2) C-O bond, an oxa-Michael addition, Friedel-Crafts reaction and a semipinacol type 1,2-carbonyl migration. PMID:26992045

  8. Microporous Polymers from a Carbazole-Based Triptycene Monomer: Synthesis and Their Applications for Gas Uptake.

    Science.gov (United States)

    Zhai, Tian-Long; Tan, Liangxiao; Luo, Yi; Liu, Jun-Min; Tan, Bien; Yang, Xiang-Liang; Xu, Hui-Bi; Zhang, Chun

    2016-01-01

    Two kinds of novel organic microporous polymers TCPs (TCP-A and TCP-B) were prepared by two cost-effective synthetic strategies from the monomer of tricarbazolyltriptycene (TCT). Their structure and properties were characterized by FT-IR, solid (13) C NMR, powder XRD, SEM, TEM, and gas absorption measurements. TCP-B displayed a high surface area (1469 m(2)  g(-1) ) and excellent H2 storage (1.70 wt % at 1 bar/77 K) and CO2 uptake abilities (16.1 wt % at 1 bar/273 K), which makes it a promising material for potential application in gas storage.

  9. 75 FR 52930 - Carbazole Violet Pigment 23 From India: Preliminary Results of Antidumping Duty Changed...

    Science.gov (United States)

    2010-08-30

    ... Review, 75 FR 10759 (March 9, 2010) (Initiation). In this notice we indicated that we would conduct the...: Rescission of Administrative Review, 75 FR 25209 (May 7, 2010). In the notice we indicated that, in... within 270 days after the date on which we initiated the changed-circumstances review.'' See 75 FR...

  10. 75 FR 14468 - Carbazole Violet Pigment 23 From China and India

    Science.gov (United States)

    2010-03-25

    ... to its notice of institution (74 FR 56663 November 2, 2009) of the subject five-year reviews was... section 201.8 of the Commission's rules, as amended, 67 FR 68036 (November 8, 2002). Even where electronic... (C) of the Commission's Handbook on Electronic Filing Procedures, 67 FR 68168, 68173 (November...

  11. Synthesis of potent, substituted carbazoles as selective androgen receptor modulators (SARMs).

    Science.gov (United States)

    Miller, Chris P; Bhaket, Pushpal; Muthukaman, Nagarajan; Lyttle, C Richard; Shomali, Maysoun; Gallacher, Kyla; Slocum, Connie; Hattersley, Gary

    2010-12-15

    The synthesis and in vitro binding affinity for a novel series of potent androgen receptor modulators is described. One of the more potent compounds (17, RAD35010) was further characterized in vivo where it restored levator ani weight in castrated male rats to near sham level while having no significant effect on prostate weight.

  12. Highly efficient multilayer organic pure-blue-light emitting diodes with substituted carbazoles compounds in the emitting layer

    CERN Document Server

    Fischer, A; Chenais, S; Castex, M C; Siove, A; Ades, D; Geffroy, B; Denis, C; Maisse, P; Fischer, Alexis; Forget, Sebastien; Chenais, Sebastien; Castex, Marie-Claude; Siove, Alain; Ades, Dominique; Geffroy, Bernard; Denis, Christine; Maisse, Pascal

    2006-01-01

    Bright blue organic light-emitting diodes (OLEDs) based on 1,4,5,8,N-pentamethylcarbazole (PMC) and on dimer of N-ethylcarbazole (N,N'-diethyl-3,3'-bicarbazyl) (DEC) as emitting layers or as dopants in a 4,4'-bis(2,2'-diphenylvinyl)-1,1'-biphenyl (DPVBi) matrix are described. Pure blue-light with the C.I.E. coordinates x = 0.153 y = 0.100, electroluminescence efficiency \\eta_{EL} of 0.4 cd/A, external quantum efficiency \\eta_{ext.} of 0.6% and luminance L of 236 cd/m2 (at 60 mA/cm2) were obtained with PMC as an emitter and the 2,9-dimethyl-4,7-diphenyl-1,10-phenantroline (BCP) as a hole-blocking material in five-layer emitting devices. The highest efficiencies \\eta_{EL.} of 4.7 cd/A, and \\eta_{ext} = 3.3% were obtained with a four-layer structure and a DPVBi DEC-doped active layer (CIE coordinates x = 0.158, y=0.169, \\lambda_{peak} = 456 nm). The \\eta_{ext.} value is one the highest reported at this wavelength for blue OLEDs and is related to an internal quantum efficiency up to 20%.

  13. Halogen effect on structure and 13C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazoles

    DEFF Research Database (Denmark)

    Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof;

    2013-01-01

    ). The decreasing electronegativity of the halogen substituent (F, Cl, Br and I) was reflected in both nonrelativistic and relativistic NMR results as decreased values of chemical shifts of carbon atoms attached to halogen (C3 and C6) leading to a strong sensitivity to halogen atom type at 3 and 6 positions....... The relativistic effect of Br and I atoms on nuclear shieldings was modeled using the spin-orbit ZORA method. Significant heavy atom shielding effects for the carbon atom directly bonded with bromine and iodine were observed (~ -10 and ~ -30 ppm while the other carbon shifts were practically unaffected...

  14. 75 FR 29718 - Carbazole Violet Pigment 23 From India and the People's Republic of China: Continuation of...

    Science.gov (United States)

    2010-05-27

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF COMMERCE... to a continuation or recurrence of dumping and material injury to an industry in the United States, the Department is publishing a notice of continuation for the antidumping duty orders....

  15. 75 FR 36630 - Carbazole Violet Pigment 23 from the People's Republic of China: Final Results of Antidumping...

    Science.gov (United States)

    2010-06-28

    ... calculation for Trust Chem. Specifically, in calculating the surrogate financial ratios, the Department has..., general and administrative expenses (SG&A). As a result, the surrogate financial ratios for factory... Addressed in the Accompanying Issues and Decision Memorandum Comment 1. Basis of the Surrogate...

  16. 76 FR 55003 - Carbazole Violet Pigment 23 From the People's Republic of China: Preliminary Intent To Rescind...

    Science.gov (United States)

    2011-09-06

    ... Republic of China, 69 FR 77987 (December 29, 2004) (the Order). On December 1, 2010, the Department... FR 74682 (December 1, 2010). On January 3, 2011, the Department received a timely request for... Administrative Reviews, 76 FR 5137 (January 28, 2011). Also on January 28, 2011, the Department requested...

  17. 75 FR 23239 - Carbazole Violet Pigment 23 From India: Extension of Time Limit for Final Results of Antidumping...

    Science.gov (United States)

    2010-05-03

    ... Administration, Department of Commerce. FOR FURTHER INFORMATION CONTACT: Jerrold Freeman or Richard Rimlinger, AD... India: Preliminary Results of Antidumping Duty Administrative Review, 74 FR 68038 (December 22, 2009... sections 751(a)(3)(A) and 777(i)(1) of the Act and 19 CFR 351.213(h)(2). Dated: April 26, 2010. Edward...

  18. 4a-Methyl-2,3,4,4a-tetrahydro-1H-carbazole-6-sulfonamide

    Directory of Open Access Journals (Sweden)

    Abdulrahman O. Al-Youbi

    2012-04-01

    Full Text Available In the title molecule, C13H16N2O2S, the nine non-H atoms comprising the indole residue are approximately coplanar (r.m.s. deviation = 0.031 Å. The partially saturated ring adopts a chair conformation. One amine H forms an intermolecular N—H...O hydrogen bond to a sulfonamide O atom, while the other amine H form is connected to the indole N atom of an adjacent molecule via an N—H...N hydrogen bond, resulting in a three-dimensional architecture.

  19. Carbazole Hydrazone as Fluorescence Sensor for Nitrite%咔唑腙为荧光指示剂的亚硝酸根传感器

    Institute of Scientific and Technical Information of China (English)

    焦晨旭; 焦东旭

    2010-01-01

    合成了一种共轭的咔唑二聚体荧光载体9-乙基-3-咔唑亚甲基-咔唑腙(ECCH),用PVC包埋的方法可以将它固定在光纤传感器的表面,在溶液pH值为2.0时,亚硝酸根(NO-2)与过量的碘离子(I-)反应生成的碘三离子(I-3)能猝灭此ECCH光极膜的荧光.得到了可以检测NO-2的传感器,并讨论了此传感器的传感机理.传感器具有较好的稳定性、重现性和选择性,使用寿命长等优点.NO-2测定的线性范围为1.0×10-6~1.0×10-4mol·L-1;检出限为4.0 X10-7mol·L-1.将传感器用于水样中NO-2的直接测定,回收率在96.O%~103.6%.

  20. Solution processed single-emission layer white polymer light-emitting diodes with high color quality and high performance from a poly(N-vinyl)carbazole host.

    Science.gov (United States)

    Ye, Shang-Hui; Hu, Tian-Qing; Zhou, Zhou; Yang, Min; Quan, Mei-Han; Mei, Qun-Bo; Zhai, Bang-Cheng; Jia, Zhen-Hong; Lai, Wen-Yong; Huang, Wei

    2015-04-14

    Low cost and high performance white polymer light-emitting diodes (PLEDs) are very important as solid-state lighting sources. In this research three commercially available phosphors were carefully chosen, bis[2-(4,6-difluorophenyl)pyridinato-N,C(2)](picolinate)iridium(III) (FIrpic), bis[2-(2-pyridinyl-N)phenyl-C](2,4-pentanedionato-O(2),O(4))iridium(III) [Ir(ppy)2(acac)], and bis(2-phenyl-benzothiazole-C(2),N)(acetylacetonate)iridium(III) [Ir(bt)2(acac)], plus a home-made red phosphor of tris[1-(2,6-dimethylphenoxy)-4-(4-chlorophenyl)phthalazine]iridium(III) [Ir(MPCPPZ)3], and their photophysical and morphological properties were systematically studied as well as their applications in single-emission layer white PLEDs comprising poly(N-vinylcarbazole) as host. Additionally, the electrochemical properties and energy level alignment, possible energy transfer process, and thin-film morphology were also addressed. The binary blue/orange complementary white PLEDs exhibit stable electroluminescence spectra, wide spectrum-covering region range from 380-780 nm, and high color rendering index (CRI) over 70 with Commission Internationale de l'Eclairage coordinates x,y (CIEx,y) of (0.388, 0.440), correlated color temperature (CCT) of around 4400, plus high efficiency of 25.5 cd A(-1). The optimized red-green-blue white PLEDs showed a satisfactory CRI of around 82.4, maximum current efficiency of 20.0 cd A(-1) and external quantum efficiency (EQE) of 10.8%, corresponding to a CCT of 3700-2800, which is a warm-white hue. At last, stable and high color quality, red-green-orange-blue four component white PLEDs, with a CRI of over 82, a high efficiency of 24.0 cd A(-1), EQE of 11.5%, and high brightness of 43,569.9 cd m(-2) have been obtained. PMID:25742776

  1. Investigation of exciton photodissociation, charge transport and photovoltaic response of poly(N-vinyl carbazole):TiO2 nanocomposites for solar cell applications

    Science.gov (United States)

    Dridi, C.; Barlier, V.; Chaabane, H.; Davenas, J.; Ben Ouada, H.

    2008-09-01

    The photogeneration of charge carriers in spin-coated thin films of nanocrystalline (nc-)TiO2 particles dispersed in a semiconducting polymer, poly(N-vinylcarbazole) (PVK), has been studied by photoluminescence and charge transport measurements. The solvent and the TiO2 particle concentration have been selected to optimize the composite morphology. A large number of small domains leading to a large interface and an improved exciton dissociation could be obtained with tetrahydrofuran (THF). The charge transport mechanism and trap distribution at low and high voltage in ITO/nc-TiO2:PVK/Al diodes in the dark could be identified by current-voltage measurements and impedance spectroscopy. The transport mechanism is space charge limited with an exponential trap distribution in the high voltage regime (1-4 V), whereas a Schottky process with a barrier height of about 0.9 eV is observed at low bias voltages (characteristics under white illumination have shown a dramatic increase of the short circuit current density Jsc and open circuit voltage Voc for a 30% TiO2 volume content corresponding to the morphology exhibiting the best dispersion of TiO2 particles. A degradation of the photovoltaic properties is induced at higher compositions by the formation of larger TiO2 aggregates. A procedure has been developed to extract the physical parameters from the J-V characteristics in the dark and under illumination on the basis of an equivalent circuit. The variation of the solar cell parameters with the TiO2 composition confirms that the photovoltaic response is optimum for 30% TiO2 volume content. It is concluded that the photovoltaic properties of nc-TiO2:PVK nanocomposites are controlled by the interfacial area between the donor and the acceptor material and are limited by the dispersion of the TiO2 nanoparticles in the polymer.

  2. Investigation of exciton photodissociation, charge transport and photovoltaic response of poly(N-vinyl carbazole):TiO(2) nanocomposites for solar cell applications.

    Science.gov (United States)

    Dridi, C; Barlier, V; Chaabane, H; Davenas, J; Ben Ouada, H

    2008-09-17

    The photogeneration of charge carriers in spin-coated thin films of nanocrystalline (nc-)TiO(2) particles dispersed in a semiconducting polymer, poly(N-vinylcarbazole) (PVK), has been studied by photoluminescence and charge transport measurements. The solvent and the TiO(2) particle concentration have been selected to optimize the composite morphology. A large number of small domains leading to a large interface and an improved exciton dissociation could be obtained with tetrahydrofuran (THF). The charge transport mechanism and trap distribution at low and high voltage in ITO/nc-TiO(2):PVK/Al diodes in the dark could be identified by current-voltage measurements and impedance spectroscopy. The transport mechanism is space charge limited with an exponential trap distribution in the high voltage regime (1-4 V), whereas a Schottky process with a barrier height of about 0.9 eV is observed at low bias voltages (characteristics under white illumination have shown a dramatic increase of the short circuit current density J(sc) and open circuit voltage V(oc) for a 30% TiO(2) volume content corresponding to the morphology exhibiting the best dispersion of TiO(2) particles. A degradation of the photovoltaic properties is induced at higher compositions by the formation of larger TiO(2) aggregates. A procedure has been developed to extract the physical parameters from the J-V characteristics in the dark and under illumination on the basis of an equivalent circuit. The variation of the solar cell parameters with the TiO(2) composition confirms that the photovoltaic response is optimum for 30% TiO(2) volume content. It is concluded that the photovoltaic properties of nc-TiO(2):PVK nanocomposites are controlled by the interfacial area between the donor and the acceptor material and are limited by the dispersion of the TiO(2) nanoparticles in the polymer. PMID:21832543

  3. Novel molecular host materials based on carbazole/PO hybrids with wide bandgap via unique linkages for solution-processed blue phosphorescent OLEDs

    Science.gov (United States)

    Ye, Hua; Zhou, Kaifeng; Wu, Hongyu; Chen, Kai; Xie, Gaozhan; Hu, Jingang; Yan, Guobing; Ma, Songhua; Su, Shi-Jian; Cao, Yong

    2016-10-01

    A series of novel molecules with wide bandgap based on electron-withdrawing diphenyl phosphine oxide units and electron-donating carbazolyl moieties through insulated unique linkages of flexible chains terminated by oxygen or sulfur atoms as solution-processable host materials were successfully synthesized for the first time, and their thermal, photophysical, and electrochemical properties were studied thoroughly. These materials possess high triplet energy levels (ET, 2.76-2.77 eV) due to the introduction of alkyl chain to interrupt the conjugation between electron-donor and electron-acceptor. Such high ET could effectively curb the energy from phosphorescent emitter transfer to the host molecules and thus assuring the emission of devices was all from the blue phosphorescent emitter iridium (III) bis [(4,6-difluorophenyl)-pyridinate-N,C2‧]picolinate (FIrpic). Among them, the solution-processed device based on CBCR6OPO without extra vacuum thermal-deposited hole-blocking layer and electron-transporting layer showed the highest maximum current efficiency (CEmax) of 4.16 cd/A. Moreover, the device presented small efficiency roll-off with current efficiency (CE) of 4.05 cd/A at high brightness up to 100 cd/m2. Our work suggests the potential applications of the solution-processable materials with wide bandgap in full-color flat-panel displays and organic lighting.

  4. Indolo[3,2-b]carbazole inhibits gap junctional intercellular communication in rat primary hepatocytes and acts as a potential tumor promoter

    DEFF Research Database (Denmark)

    Herrmann, Susan; Seidelin, Michel; Bisgaard, Hanne Cathrine;

    2002-01-01

    environment of the stomach after intake of I3C, has a similar structure to, and shares biological effects with, the well-known tumor promoter 2,3,7,8-tetrachlorodibenzo-pdioxin (TCDD). Therefore, we hypothesized that ICZ could be responsible for the potential tumor-promoting activity of I3C. The aim of the....... Significant inhibition was observed after 8 and 12 h of treatment with 1 and 0.1 µM ICZ, respectively. Maximum GJIC inhibition (cell–cell communication only 5% of control values) was observed after 24–48 h of ICZ treatment. Continued exposure to 1 µM ICZ suppressed GJIC until ~120 h. Both ICZ and TCDD...

  5. 2-(1,2,3,4-Tetra­hydro-9H-carbazol-1-yl­idene)propane­dinitrile

    OpenAIRE

    Velmurugan, R.; M. Sekar; Chandramohan, A.; Ramesh, P.; Ponnuswamy, M. N.

    2010-01-01

    In the title compound, C15H11N3, the cyclo­hexene ring adopts a sofa conformation. An intra­molecular N—H⋯N hydrogen bond generates an S(7) ring motif. In the crystal, mol­ecules are linked by inter­molecular N—H⋯N, C—H⋯N and C—H⋯π inter­actions into a three-dimensional network.

  6. 2-{4-Methyl-N-[(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl]benzenesulfonamido}ethyl 4-methylbenzenesulfonate

    Directory of Open Access Journals (Sweden)

    Nagihan Çaylak Delibaş

    2013-12-01

    Full Text Available In the title compound, C29H32N2O5S2, the indole ring system is nearly planar, with a maximum deviation of 0.013 (2 Å, and the cyclohexenone ring has an envelope conformation with the methine C atom as the flap. The two methylbenzene rings are approximately perpendicular to each other, making a dihedral angle of 89.09 (8°. In the crystal, N—H...O hydrogen bonds link the molecules into a chain running along the a-axis direction, and weak C—H...O hydrogen bonds and C—H...π interactions are observed between the chains.

  7. Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9H-carbazole

    DEFF Research Database (Denmark)

    Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof;

    2015-01-01

    the harmonic oscillator model of aromaticity (HOMA) and the nucleus independent chemical shift (NICS) indexes. Theoretical relativistic calculations of chemical shifts of carbons C3 and C6, directly bonded to iodine atoms, produced a reasonable agreement with experiment (initial deviation from experiment of 41...

  8. The tryptophan photoproduct 6-formylindolo[3,2-b]carbazole (FICZ) binds multiple AHRs and induces multiple CYP1 genes via AHR2 in zebrafish

    DEFF Research Database (Denmark)

    Jönsson, Maria E.; Franks, Diana G.; Woodin, Bruce R.;

    2009-01-01

    to FICZ is evolutionarily conserved in vertebrates by measuring FICZ binding to two zebrafish AHRs (AHR1B and AHR2) and its ability to induce zebrafish CYP1 genes (CYP1A, CYP1B1, CYP1C1, CYP1C2, and CYP1D1) in vivo. Exposure of zebrafish embryos (48 h-post-fertilization; hpf) to 10 nM FICZ for 6 h caused...... strong induction of CYP1A mRNA and a statistically significant but modest induction of CYP1B1 and CYP1C1. Neither CYP1C2 nor CYP1D1 expression was induced by FICZ under the conditions of dose, time or developmental stage examined here. CYP1A induction was significantly greater after 6 h than after 12 h...... of exposure to FICZ, suggesting a rapid degradation of inducer. The 6-h EC50 values for induction of CYP1A and CYP1B1 by FICZ were 0.6 and 0.5 nM compared to 72-h EC50 values of 2.3 and 2.7 nM for PCB126, indicating that in zebrafish embryos FICZ is a more potent inducer than PCB126. FICZ at 10 nM was able...

  9. In Vitro Effects of Aminoalcohol-carbazole Compound BTB3 against Echinococcus granulosus%氨基醇咔唑化合物BTB3体外抗细粒棘球蚴效果的评价

    Institute of Scientific and Technical Information of China (English)

    刘丛珊; 张皓冰; 薛剑; 陶奕; 胡薇

    2016-01-01

    目的 观察氨基醇咔唑化合物BTB3体外抗细粒棘球蚴的效果. 方法 体外培养羊源细粒棘球蚴原头节和继发感染小鼠来源的生发层细胞,用浓度为1、2、4、8、10和20-μg/ml的BTB3作用3d后,分别采用美兰染色法和CCK-8法检测原头节和生发层细胞的活性.用扫描电镜观察10μg/ml BTB3对生发层细胞造成的损伤.体外培养细粒棘球蚴囊,用浓度为1、5和10 μg/ml的BTB3作用2周后,观察其对囊的影响,并用扫描电镜观察囊内部结构的变化. 结果 10μg/ml和20 μg/ml BTB3组原头节的死亡率分别为(100.0±0.0)%和(85.2±7.2)%.但当浓度降低后,原头节死亡率均低于10%.生发层细胞经8、10和20 μg/ml BTB3作用后,其细胞活性抑制率均达100%,其余低浓度BTB3组的抑制率随浓度的降低而降低.扫描电镜观察发现,BTB3可使生发层细胞发生脱落、皱缩以及空腔化.10μg/ml BTB3作用于棘球蚴囊14 d后,全部囊均出现塌陷.其超微结构显示,BTB3作用后棘球蚴内囊中出现了细胞脱落和不均匀的现象. 结论 BTB3对体外培养的细粒棘球蚴原头节、生发层细胞和棘球蚴囊均有较强的作用,是一种潜在的抗棘球蚴药物.

  10. Metabolic Engineering to Develop a Pathway for the Selective Cleavage of Carbon-Nitrogen Bonds

    Energy Technology Data Exchange (ETDEWEB)

    John J. Kilbane II

    2005-10-01

    The objective of the project is to develop a biochemical pathway for the selective cleavage of C-N bonds in molecules found in petroleum. Specifically a novel biochemical pathway will be developed for the selective cleavage of C-N bonds in carbazole. The cleavage of the first C-N bond in carbazole is accomplished by the enzyme carbazole dioxygenase, that catalyzes the conversion of carbazole to 2-aminobiphenyl-2,3-diol. The genes encoding carbazole dioxygenase were cloned from Sphingomonas sp. GTIN11 and from Pseudomonas resinovorans CA10. The selective cleavage of the second C-N bond has been challenging, and efforts to overcome that challenge have been the focus of recent research in this project. Enrichment culture experiments succeeded in isolating bacterial cultures that can metabolize 2-aminobiphenyl, but no enzyme capable of selectively cleaving the C-N bond in 2-aminobiphenyl has been identified. Aniline is very similar to the structure of 2-aminobiphenyl and aniline dioxygenase catalyzes the conversion of aniline to catechol and ammonia. For the remainder of the project the emphasis of research will be to simultaneously express the genes for carbazole dioxygenase and for aniline dioxygenase in the same bacterial host and then to select for derivative cultures capable of using carbazole as the sole source of nitrogen.

  11. 1-O-Substituted derivatives of murrayafoline A and their antifungal properties.

    Science.gov (United States)

    Cuong, N M; Wilhelm, H; Porzel, A; Arnold, N; Wessjohann, L

    2008-01-01

    The synthesis of some 1-oxygenated derivatives of murrayafoline A (1) and their antifungal properties is reported. Three derivatives, 1-hydroxy-3-methyl-9H-carbazole (2), 1-(3-methylbut-2-enyloxy)-3-methyl-9H-carbazole (3) and 1-(2,3,4,6-tetra-O-acetyl-alpha-D-O-glucopyranosyl)-3-methyl-9H-carbazole (4) of murrayafoline A were synthesized. Compounds 1 and 2 exhibited strong fungicidal activity against Cladosporium cucumerinum at the dose of 12.5 microg. PMID:19023805

  12. Synthesis and Characterization of Organic Dyes Containing Various Donors and Acceptors

    Directory of Open Access Journals (Sweden)

    Wen-Chung Ou-Yang

    2010-01-01

    Full Text Available New organic dyes comprising carbazole, iminodibenzyl, or phenothiazine moieties, respectively, as the electron donors, and cyanoacetic acid or acrylic acid moieties as the electron acceptors/anchoring groups were synthesized and characterized. The influence of heteroatoms on carbazole, iminodibenzyl and phenothiazine donors, and cyano-substitution on the acid acceptor is evidenced by spectral, electrochemical, photovoltaic experiments, and density functional theory calculations. The phenothiazine dyes show solar-energy-to-electricity conversion efficiency (η of 3.46–5.53%, whereas carbazole andiminodibenzyl dyesshow η of 2.43% and 3.49%, respectively.

  13. Synthesis and photocurrent response of porphyrin-containing conjugated polymers

    Institute of Scientific and Technical Information of China (English)

    ZHAO Jinling; LI Binsong; BO Zhishan

    2006-01-01

    Porphyrin-containing conjugated polymers with fluorene or carbazole as spacer groups were prepared by Sonogashira cross-coupling reactions. The polymers were of high molecular weight and the flexible alkyl chains on fluorene or carbazole units made the conjugated polymers soluble in common organic solvents, such as THF and methylene chloride. The polymers could form high quality durable films from solution casting. Their optical and photocurrent responsive properties were investigated. It was found that the photocurrent response was directly proportional to the content of porphyrin. The incorporation of carbazole units into the polymer chains also gave positive contribution to the photocurrent generation in some extent.

  14. Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials

    Institute of Scientific and Technical Information of China (English)

    潘玉钰; 刘丹丹; 许海; 刘晓冬; 孙冠楠; 杨兵; 马於光

    2012-01-01

    The molecular materials with structures of luminescent core and peripheral carrier groups (e.g. carbazoles), have exhibited high-performance in organic light-emitting diodes (OLEDs). Present work is to understand the basic process of electronic and energy exchange between the peripheral functional groups and the central core through quantum chemical analysis. As an example, 4,7-bis(9,9-bis(6-(9H-carbazol-9-yl)hexyl)-9H-fluoren-2-yl)benzo[c]- [1,2,5]thiadiazole (TCBzC) is investigated in regards to optoelectronic properties using density functional theory (DFT). The results suggest that the forbidden transition from peripheral carbazole to the central chromophore core makes for separated electrical and optical properties, and high performance electroluminescence (EL) is mainly at- tributed to the energy-transfer from carbazoles to the fluorene derivative core.

  15. Iridium complexes demonstrating broadband emission through controlled geometric distortion and applications thereof

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jian; Turner, Eric

    2016-04-12

    Iridium compounds and their uses are disclosed herein. For example, carbazole containing iridium compounds are disclosed. The compounds are useful in many devices, including, but not limited to, electroluminescent devices.

  16. Phenothiazine-based CaaX competitive inhibitors of human farnesyltransferase bearing a cysteine, methionine, serine or valine moiety as a new family of antitumoral compounds.

    Science.gov (United States)

    Dumitriu, Gina-Mirabela; Bîcu, Elena; Belei, Dalila; Rigo, Benoît; Dubois, Joëlle; Farce, Amaury; Ghinet, Alina

    2015-10-15

    A new family of CaaX competitive inhibitors of human farnesyltransferase based on phenothiazine and carbazole skeleton bearing a l-cysteine, l-methionine, l-serine or l-valine moiety was designed, synthesized and biologically evaluated. Phenothiazine derivatives proved to be more active than carbazole-based compounds. Phenothiazine 1b with cysteine residue was the most promising inhibitor of human farnesyltransferase in the current study.

  17. Effects of Biodegradation on the Distribution of Alkylcarbazoles in Crude Oils

    Institute of Scientific and Technical Information of China (English)

    ZHANG CHUNMING(张春明); MEI BOWEN(梅博文); STEVE R.LARTER; MARTIN P.KOOPMANS; XIAO QIANHUA(肖乾华)

    2002-01-01

    We have investigated the distributions of alkylcarbazoles in a series of crude oils with different biodegradation extents, in combination with biomarker parameters, stable carbon isotopic ratios and viscosities. The analyses showed that slight biodegradation has little effect on alkylcarbazoles. The concentrations of C0-, C1-, and C2-carbazoles seem to display a slight decrease with biodegradation through the moderately biodegraded stage, and an abrupt decrease to the heavily biodegraded stage. The relative concentrations of C0-, C1-, and C2-carbazoles do not show any apparent change in the non-heavily biodegraded stages, but through non-heavily biodegraded to heavily biodegraded stages, the percentages of C0- and C1-carbazoles decrease,and those of C2-carbazoles increase significantly, which may indicate that C2-carbazoles are more resistant to biodegradation than lower homologous species. As to C2-carbazole isomers,the relative concentrations of the pyrrolic N-H-shielded, pyrrolic N-H partially shielded and pyrrolic N-H-exposed isomers do not show any obvious variation in the non-heavily biodegraded oil, but there is an abrupt change through the mid-biodegraded stage to the heavily biodegraded stage.

  18. 磷光配体3-[4-(2-吡啶基)苯基]-9-(4-氟苯基)-9H-咔唑的合成%Synthesis of 3-[4-(Pyridin-2-y1)phenyl]-9-(4-fluorophenyl)-9H-carbazole

    Institute of Scientific and Technical Information of China (English)

    刘贵军; 邓锋杰; 邓阳生; 高希存

    2010-01-01

    以对溴苯胺为原料,经重氮化、Gomberg-Bachmann偶联、硼酸化反应得到4-(2-吡啶基)苯硼酸;再与对氟苯基取代的咔唑,通过四(三苯基磷)钯催化,于90℃进行Suzuki偶联合成出标题磷光配体,收率82.03%.对目标物用核磁共振氢谱和元素分析进行了表征,并测得它在二氯甲烷中的紫外吸收光谱和荧光光谱.由于受咔唑基团的影响,磷光配体最大吸收峰波长红移56 nm,且吸收的强度增加,Stokes位移154 nm,相对荧光量子效率为0.17.

  19. Synthesis and characterization of p and n dopable interpenetrating polymer networks for organic photovoltaic devices

    International Nuclear Information System (INIS)

    Interpenetrating polymer networks (IPN) based on carbazole derivatives and diacrylate perylene are synthesized in two steps via an in-situ process. From a spin-coated thin film of a mixture of the two precursors, the diacrylate perylene is first photopolymerized to form a network in the presence of the carbazole derivative which is then electropolymerized to elaborate the IPN. Electrochemical characterizations show that the carbazole and perylene are electroactive inside the film which confirm the p and n dopable properties of the IPN. AFM images of the IPNs show a homogenous and smooth surface, compared to single network, which indicate a high quality of association of each network which should allow an efficient p/n bulk heterojunction

  20. One-pot synthesis and UV-Visible absorption studies of novel tricyclic heterocycle tethered Xanthene-1,8-diones

    Indian Academy of Sciences (India)

    Thirumal Yempala; Balasubramanian Sridhar; Srinivas Kantevari

    2015-05-01

    A series of new tricyclic heterocyclic xanthene-1,8-diones tethered with chromophoric dibenzo [ , ]furan, dibenzo[ , ]thiophene and 9-methyl-9-carbazoles were synthesized through one-pot condensation of dibenzo[ , ]furan-2-carbaldehyde, dibenzo[ , ] thiophene-2-carbaldehyde and 9-methyl-9-carbazole-3-carbaldehyde with cyclic 1,3-dicarbonyls in the presence of recyclable PPA-SiOM2 catalyst under solvent-free conditions. Further, UV-Visible absorption properties of all the synthesized compounds were investigated in CHCl3, THF and acetonitrile.

  1. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fukushima, Tatsuya; Yamamoto, Junichi; Fukuchi, Masashi; Kaji, Hironori, E-mail: kaji@scl.kyoto-u.ac.jp [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Hirata, Shuzo; Jung, Heo Hyo; Adachi, Chihaya [Center for Organic Photonics and Electronics Research (OPERA), Kyusyu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Hirata, Osamu; Shibano, Yuki [Nissan Chemical Industries, LTD, 722-1 Tsuboi, Funabashi 274-8507 (Japan)

    2015-08-15

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  2. The fabrication of polyfluorene and polycarbazole-based photovoltaic devices using an air-stable process route

    Energy Technology Data Exchange (ETDEWEB)

    Bovill, E.; Lidzey, D. G., E-mail: d.g.lidzey@sheffield.ac.uk [Department of Physics and Astronomy, The University of Sheffield, Hicks Building, Hounsfield Road, Sheffield S3 7RH (United Kingdom); Yi, H.; Iraqi, A. [Department of Chemistry, The University of Sheffield, The Dainton Building, Sheffield S3 7HF (United Kingdom)

    2014-12-01

    We report a comparative study based on the fabrication of polymer:fullerene photovoltaic (PV) devices incorporating carbazole, fluorene, and a PTB based co-polymer. We have explored the efficiency and performance of such devices when the active polymer:fullerene layer is deposited by spin-casting either under nitrogen or ambient conditions. We show that PV devices based on carbazole and fluorene based materials have very similar power conversion efficiencies when processed under both air and nitrogen, with other photobleaching measurements suggesting that such materials have comparatively enhanced photostability. Devices based on the PTB co-polymer, however, have reduced efficiency when processed in air.

  3. Synthesis and properties of novel low band-gap polymers bearing squaraine units

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Novel main-chain-conjugated poly(carbazol-alt-squaraine) and poly(dipyridyl-alt-squaraine) were successfully synthesized through direct polycondensation of 9-(2-ethylhexyl)carbazole-bridged or dipyridyl-bridged bispyrrole and squaric acid.The structures and properties of the polymers were characterized using ~1H NMR,FT-IR,UV-vis and cyclic voltammetry.Both polymers exhibit excellent solubility in common organic solvents and good thermal stability.Their UV-vis absorption spectra indicated the polymers hav...

  4. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation

  5. Rhodanine dye-based small molecule acceptors for organic photovoltaic cells.

    Science.gov (United States)

    Kim, Yujeong; Song, Chang Eun; Moon, Sang-Jin; Lim, Eunhee

    2014-08-01

    The solution-processable small molecules based on carbazole or fluorene containing rhodanine dyes at both ends were synthesized and introduced as acceptors in organic photovoltaic cells. The high energy levels of their lowest unoccupied molecular orbitals resulted in a power conversion efficiency of 3.08% and an open circuit voltage of up to 1.03 V.

  6. Malassezia-derived indoles activate the aryl hydrocarbon receptor and inhibit Toll-like receptor-induced maturation in monocyte-derived dendritic cells.

    NARCIS (Netherlands)

    Vlachos, C.; Schulte, B.M.; Magiatis, P.; Adema, G.J.; Gaitanis, G.

    2012-01-01

    Background The aryl hydrocarbon receptor (AhR) is a nuclear receptor and transcriptional regulator with pleiotropic effects. The production of potent AhR ligands by Malassezia yeasts, such as indirubin, indolo[3,2-b]carbazole (ICZ), tryptanthrin and malassezin, has been associated with the pathogene

  7. Construction of carbocyclic ring of indoles using ruthenium-catalyzed ring-closing olefin metathesis.

    Science.gov (United States)

    Yoshida, Kazuhiro; Hayashi, Kazushi; Yanagisawa, Akira

    2011-09-16

    The selective synthesis of substituted indoles was achieved by the ring-closing olefin metathesis (RCM)/elimination sequence or the RCM/tautomerization sequence of functionalized pyrrole precursors. The RCM/elimination sequence was also applied to double ring closure to yield a substituted carbazole.

  8. Influence of biodegradation on benzocarbazole distri-butions in reservoired oils

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Partition coefficient difference of benzocarba-zole isomers between oil, water and mineral phase makes them auseful indicator to quantify petroleum migration distance. Because of their nitrogen-heteroatom andannelated aromatic cycles they are generally regarded asbeing more resistant and the effects of biodegradation ontheir concentrations and distributions have not previouslybeen investigated. Reservoir extracts from three wells lo-cated in the Leng43 block of the Liaohe Basin were analyzed to investigate their occurrence and the effect of biodegrada-tion. Both hydrocarbon biomarkers and benzocarbazole isomers show systematical changes with the increase extent of biodegradation in study columns. Carbazole compounds may be biodegraded in a similar way to that observed in aliphatic and aromatic hydrocarbons. The distance from oil water contact is a primary control factor for biodegradation. The concentrations of benzocarbazole isomers show a slight increase in the upper part of the columns then a sharp de-crease towards oil water contact (OWC). Among three iso-mers benzo[a]carbazole seems more susceptible to biode-gradation than other two isomers and benzo[b]carbazole has higher ability to res ist bacterial attack. Benzo[b]carba-zole/benzo- [a]carbazole ratios can sensitively indicate the degree of biodegradation and the benzocarbazole index (BCratio) cannot be directly used as a migration indicator inbiodegraded oils.

  9. Synthesis, photophysical and electro-optical properties of bis-carbazolyl methane based host material for pure-blue phosphorescent OLED

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Byoung-Joon; Yook, Kyoung Soo; Lee, Jun Yeob [Department of Polymer Science and Engineering and Center for Photofunctional Energy Materials, Dankook University, Yongin, Gyeonggi 448-701 (Korea, Republic of); Shin, Seunghan [Chonan R and D Center, KITECH, Chonan, Chungnam 330-825 (Korea, Republic of); Hwang, Seok-Ho, E-mail: bach@dankook.ac.kr [Department of Polymer Science and Engineering and Center for Photofunctional Energy Materials, Dankook University, Yongin, Gyeonggi 448-701 (Korea, Republic of)

    2012-10-15

    A new high triplet-energy host material, 9-(4-(bis(9-ethyl-9H-carbazol-3-yl)methyl)phenyl)-9H-carbazole (bis-CMPC), was synthesized and its device performance of phosphorescent organic light-emitting diode was investigated. This host material showed a high triplet energy ({approx}2.95 eV) and good thermal stability. Highly efficient pure-blue PHOLED was obtained when employing bis-CMPC as the host material and bis((3,5-difluoro-4-cyanophenyl)pyridine) iridium picolinate as the guest material. The maximum external quantum efficiency of the device reached as high as 13.3% with a pure-blue color coordinate of (0.14, 0.21). - Graphical abstract: Highlights: Black-Right-Pointing-Pointer Synthesis of 9-(4-(bis(9-ethyl-9H-carbazol-3-yl)methyl)phenyl)-9H-carbazole. Black-Right-Pointing-Pointer Synthesized host material showed high triplet energy level and thermal stability. Black-Right-Pointing-Pointer Maximum external quantum efficiency of the device as high as 13.3%. Black-Right-Pointing-Pointer The device showed a pure-blue color coordinate of (0.14, 0.21).

  10. Carotenoids play a positive role in the degradation of heterocycles by Sphingobium yanoikuyae.

    Directory of Open Access Journals (Sweden)

    Xiaorui Liu

    Full Text Available BACKGROUND: Microbial oxidative degradation is a potential way of removing pollutants such as heterocycles from the environment. During this process, reactive oxygen species or other oxidants are inevitably produced, and may cause damage to DNA, proteins, and membranes, thereby decreasing the degradation rate. Carotenoids can serve as membrane-integrated antioxidants, protecting cells from oxidative stress. FINDINGS: Several genes involved in the carotenoid biosynthetic pathway were cloned and characterized from a carbazole-degrading bacterium Sphingobium yanoikuyae XLDN2-5. In addition, a yellow-pigmented carotenoid synthesized by strain XLDN2-5 was identified as zeaxanthin that was synthesized from β-carotene through β-cryptoxanthin. The amounts of zeaxanthin and hydrogen peroxide produced were significantly and simultaneously enhanced during the biodegradation of heterocycles (carbazole < carbazole + benzothiophene < carbazole + dibenzothiophene. These higher production levels were consistent with the transcriptional increase of the gene encoding phytoene desaturase, one of the key enzymes for carotenoid biosynthesis. CONCLUSIONS/SIGNIFICANCE: Sphingobium yanoikuyae XLDN2-5 can enhance the synthesis of zeaxanthin, one of the carotenoids, which may modulate membrane fluidity and defense against intracellular oxidative stress. To our knowledge, this is the first report on the positive role of carotenoids in the biodegradation of heterocycles, while elucidating the carotenoid biosynthetic pathway in the Sphingobium genus.

  11. Electrochemical oxidation-induced polymerization of 5,10,15,20-tetrakis[3-(N-ethylcarbazoyl)]porphyrin. Formation and characterization of a novel electroactive porphyrin thin film

    Energy Technology Data Exchange (ETDEWEB)

    Durantini, Javier; Otero, Luis; Funes, Matias; Durantini, Edgardo N.; Fungo, Fernado [Departamento de Quimica, Universidad Nacional de Rio Cuarto, Agencia Postal Nro. 3, X5804BYA Rio Cuarto, Cordoba (Argentina); Gervaldo, Miguel, E-mail: mgervaldo@exa.unrc.edu.a [Departamento de Quimica, Universidad Nacional de Rio Cuarto, Agencia Postal Nro. 3, X5804BYA Rio Cuarto, Cordoba (Argentina)

    2011-04-15

    Highlights: We show the formation and characterization of a novel porphyrin polymer. Its electropolymerization mechanism involves the dimerization of carbazole units. The electrogenerated polymer film shows the characteristic porphyrin bands. We detect a broad band that extends into the near-IR region upon polymer oxidation. - Abstract: The formation and characterization of novel polymer modified Pt and ITO electrodes obtained by electropolymerization is depicted. The presences of porphyrin, a powerful optical and redox active center, together with carbazole, a well-known hole-transporting material, confer to the polymer electric and optical activity, with potential application in the development of organic optoelectronic devices. 5,10,15,20-Tetrakis[3-(N-ethylcarbazoyl)]porphyrin form conductive, stable and reproducible electropolymer films. Combined electrochemical and spectroscopic studies show that the electropolymerization mechanism involves the dimerization of carbazole units. During coupling of carbazole radicals, protons are released to the media and porphyrin film is protonated, generating the porphyrin dication. The observation of the characteristic porphyrin electronic spectrum after reduction of the film indicates that the tetrapyrrolic macrocycle remains unaltered in the electrogenerated polymer. The formation of a broad band that extends into the near-IR region upon polymer oxidation is in agreement with the presence of a conducting polymer with good charge transport capability.

  12. Solar cells on the base of organic semiconductors

    International Nuclear Information System (INIS)

    The parameters of organic solar cells on the base of different organic semiconductors as poly epoxypropyl carbazole, copper phthalocyanine and bordeaux perylene are considered. Moreover the properties of solar cells on the base of n-GaAs and copper phthalocyanine heterostructure are described. The new technologies in the field of organic solar cells as bulk heterostructure solar cells are discussed. (author)

  13. 76 FR 35832 - Folding Metal Tables and Chairs From the People's Republic of China: Preliminary Results of...

    Science.gov (United States)

    2011-06-20

    ... joint venture between Chinese and foreign companies. Xinjiamei stated that it is a wholly Chinese-owned...., Expedited Sunset Review of the Countervailing Duty Order on Carbazole Violet Pigment 23 from India, 75 FR... From the People's Republic of China, 67 FR 43277 (June 27, 2002). On June 1, 2010, the...

  14. 75 FR 41808 - Narrow Woven Ribbons With Woven Selvedge From the People's Republic of China: Final Determination...

    Science.gov (United States)

    2010-07-19

    ...: Berwick Offray LLC and its wholly owned subsidiary Lion Ribbon Company, Inc. (``Petitioner''); Yama; and... Determination of Sales at Less Than Fair Value: Carbazole Violet Pigment 23 From India, 69 FR 67306, 67307... and Postponement of Final Determination, 75 FR 7244 (February 18, 2010) (``Preliminary...

  15. Thin films of arylenevinylene oligomers prepared by MAPLE for applications in non-linear optics

    Energy Technology Data Exchange (ETDEWEB)

    Stanculescu, A., E-mail: sanca@infim.ro [National Institute of Materials Physics, Optics and Spectroscopy Laboratory, 105 bis Atomistilor Street, P.O. Box MG-7, Bucharest-Magurele 077125 (Romania); Vacareanu, L.; Grigoras, M. [P. Poni' Institute of Macromolecular Chemistry, 41 A Gr. Ghica Voda Alley, 700487 Iasi (Romania); Socol, M. [National Institute of Materials Physics, Optics and Spectroscopy Laboratory, 105 bis Atomistilor Street, P.O. Box MG-7, Bucharest-Magurele 077125 (Romania); Socol, G. [National Institute for Laser, Plasma and Radiation Physics, Str. Atomistilor, Nr. 409, P.O. Box MG-36, Magurele, Bucharest 077125 (Romania); Stanculescu, F. [Faculty of Physics, University of Bucharest, Str. Atomistilor nr.405, P.O. Box MG-11, Bucharest-Magurele 077125 (Romania); Preda, N.; Matei, E. [National Institute of Materials Physics, Optics and Spectroscopy Laboratory, 105 bis Atomistilor Street, P.O. Box MG-7, Bucharest-Magurele 077125 (Romania); Ionita, I. [Faculty of Physics, University of Bucharest, Str. Atomistilor nr.405, P.O. Box MG-11, Bucharest-Magurele 077125 (Romania); Girtan, M. [Laboratoire de Photonique d' Angers, Universite d' Angers, 2, Bd. Lavoisier, 49045 Angers (France); Mihailescu, I.N. [National Institute for Laser, Plasma and Radiation Physics, Str. Atomistilor, Nr. 409, P.O. Box MG-36, Magurele, Bucharest 077125 (Romania)

    2011-04-01

    This paper discusses two arylenevinylene oligomers with optical nonlinear properties. Their trans molecular structure was confirmed by Fourier Transform Infrared Spectroscopy and Nuclear Magnetic Resonance. Second Harmonic Generation and two-photon fluorescence have been observed on Matrix Assisted Pulsed Laser Evaporation-deposited thin films. We have seen two local maxima in UV-Vis spectra and a red shift of the photoluminescence peak for carbazole-based oligomer, which can be correlated with a higher conformational flexibility and with strong polarization interactions in the solid state. Scanning Electron Microscopy and Atomic Force Microscopy images have revealed a grainy morphology of the film deposited on titanium and a higher roughness for carbazole-based oligomer. Second harmonic measurements have shown nearly equal values of the second-order nonlinear optical coefficient for the triphenylamine and carbazole-based oligomers for P{sub laser} < 100 mW. z-Scan and x-scan representations of the carbazole-based oligomer film have shown strong two-photon fluorescence intensity inside the sample confirming a volume process, and a strong second harmonic at the surface of the sample determined by the surface morphology.

  16. Ligand exchange leads to efficient triplet energy transfer to CdSe/ZnS Q-dots in a poly(N-vinylcarbazole) matrix nanocomposite

    Science.gov (United States)

    Khetubol, Adis; Van Snick, Sven; Hassinen, Antti; Fron, Eduard; Firdaus, Yuliar; Pandey, Lesley; David, Charlotte C.; Duerinckx, Karel; Dehaen, Wim; Hens, Zeger; Van der Auweraer, Mark

    2013-02-01

    Upon exchanging long chain alkylamine ligands with a carbazole terminated fatty acid as 6-(N-carbazolyl)-hexanoic acid (C6) and 11-(N-carbazolyl) undecanoic acid (C11), efficient photoluminescence (PL) of CdSe/ZnS colloidal quantum dots (QDs) was observed upon excitation in the absorption band of the carbazole moiety at 330 nm. This effect, which occurred both in solution and in a poly(N-vinylcarbazole) (PVK) matrix doped with the QDs, is attributed to sensitization of the QDs by PVK and the ligands. More efficient energy transfer was observed in solution for the shorter ligand (C6) capped QDs, due to a shorter average distance between the donor (carbazole) and the acceptor (QD). The binding of C6 and C11 to the QDs was confirmed by 1H solution nuclear magnetic resonance, which showed line broadening of the carbazole signal due to a decrease of the mobility of the carbazoles upon binding to the QDs compared with the sharp lines observed for the free molecules in solution. In doped PVK films, the significant enhancement of the energy transfer to the QD core could also be related to a better miscibility between the QDs and the PVK as confirmed by optical transmission and confocal microscopy images. In contrast to the experiment in solution, the overall energy transfer in the doped films was found more efficient for QDs capped with C11. To study in more detail the energy transfer between the carbazole moieties and the QDs, time-resolved fluorescence measurements were performed for solutions of C6 and C11, capped QDs and PVK films doped with the QDs. In contrast to the large enhancement of the QD emission indicated by steady-state PL spectra, the latter experiments suggested only a relatively low efficiency (19.6% and 10.8%) for singlet transfer from the carbazole ligands to the QDs. This suggests that the enhancement of the QD emission must be largely due to triplet transfer.

  17. Multi-3,3'-Bicarbazole-Substituted Arylsilane Host Materials with Balanced Charge Transport for Highly Efficient Solution-Processed Blue Phosphorescent Organic Light-Emitting Diodes.

    Science.gov (United States)

    Sun, Dianming; Zhou, Xiaokang; Li, Huihui; Sun, Xiaoli; Ren, Zhongjie; Ma, Dongge; Yan, Shouke

    2015-08-19

    A series of 3,3'-bicarbazole (mCP)-functionalized tetraphenylsilane derivatives (SimCPx), including bis(3,5-di(9H-carbazol-9-yl)phenyl)diphenylsilane (SimCP2), tris(3,5-di(9H-carbazol-9-yl)phenyl)methylsilane (SimCP3-CH3), tris(3,5-di(9H-carbazol-9-yl)phenyl)phenylsilane (SimCP3-Ph), and tetrakis(3,5-di(9H-carbazol-9-yl)phenyl)silane (SimCP4), serving as bipolar blue hosts for bis[2-(4,6-difluorophenyl)pyridyl-N,C2']iridium(III) (FIrpic), have been synthesized by incorporating different ratios of mCP subunits into a central silicon atom. All of the SimCPx derivatives have wide bandgaps and high triplet energies because of the indirect linkage by silicon between each mCP subunit. The good solubility and high thermal and morphological stability of SimCPx are beneficial for forming amorphous and homogeneous films through solution processing. Density functional theory simulations manifest the better bipolar characteristics for SimCPx using three and four mCP units rather than the represented bipolar host SimCP2. As a result, SimCP4 presents the best electron-transporting ability for charge balance. Consequently, the lowest driving voltage of 4.8 eV, and the favorable maximum efficiencies of 14.2% for external quantum efficiency (28.4 cd A(-1), 13.5 lm W(-1)), are achieved by solution-processed, SimCP4-based blue phosphorescent organic light-emitting diodes as the highest performance among SimCPx, in which 32% improved device efficiencies compared to that of SimCP2 are obtained. It is inspiring to develop efficient bipolar hosts for blue phosphors by just incorporating monopolar carbazole into arylsilanes in two steps. PMID:26252613

  18. METABOLIC ENGINEERING TO DEVELOP A PATHWAY FOR THE SELECTIVE CLEAVAGE OF CARBON-NITROGEN BONDS

    Energy Technology Data Exchange (ETDEWEB)

    John J. Kilbane II

    2004-10-01

    The objective of the project is to develop biochemical pathways for the selective cleavage of C-N bonds in molecules found in petroleum. The initial phase of the project was focused on the isolation or development of an enzyme capable of cleaving the C-N bond in aromatic amides, specifically 2-aminobiphenyl. The objective of the second phase of the research will be to construct a biochemical pathway for the selective removal of nitrogen from carbazole by combining the carA genes from Sphingomonas sp. GTIN11 with the gene(s) encoding an appropriate deaminase. The objective of the final phase of the project will be to develop derivative C-N bond cleaving enzymes that have broader substrate ranges and to demonstrate the use of such strains to selectively remove nitrogen from petroleum. During the first year of the project (October, 2002-September, 2003) enrichment culture experiments resulted in the isolation of microbial cultures that utilize aromatic amides as sole nitrogen sources, several amidase genes were cloned and were included in directed evolution experiments to obtain derivatives that can cleave C-N bonds in aromatic amides, and the carA genes from Sphingomonas sp. GTIN11, and Pseudomonas resinovorans CA10 were cloned in vectors capable of replicating in Escherichia coli. During the second year of the project (October, 2003-September, 2004) enrichment culture experiments succeeded in isolating a mixed bacterial culture that can utilize 2-aminobiphenyl as a sole nitrogen source, directed evolution experiments were focused on the aniline dioxygenase enzyme that is capable of deaminating aniline, and expression vectors were constructed to enable the expression of genes encoding C-N bond cleaving enzymes in Rhodococcus hosts. The construction of a new metabolic pathway to selectively remove nitrogen from carbazole and other molecules typically found in petroleum should lead to the development of a process to improve oil refinery efficiency by reducing the

  19. Synthesis, crystal structure, computational and photophysical studies of new hydrazono-thiazole derivatives decorated with N-methyl tetrahydrocarbazole pendant

    Science.gov (United States)

    Gautam, Deepika; Chaudhary, R. P.

    2015-01-01

    2,3-Dihydro-1H-carbazol-4(9H)-one, obtained from 2,3-Dichloro-5,6-Dicyanobenzoquinone (DDQ) oxidation of tetrahydrocarbazole, on methylation with N, N-dimethylformamide dimethyl acetal (DMF-DMA) furnish N-methyl derivative. The thiosemicarbazone of N-methyl derivative on reaction with 2-bromopropionic acid, ethyl bromopyruvate and dimethyl acetylenedicarboxylate (DMAD) afford hydrazono-thiazolidin-4-one derivatives with tetrahydrocarbazole pendant. X-ray diffraction and DFT studies of (Z)-5-methyl-2-((E)-(9-methyl-2,3-dihydro-1H-carbazol-4(9H)-ylidene)hydrazono)thiazolidin-4-one 5 have been reported. The reaction with dimethyl acetylenedicarboxylate (DMAD) and ethyl bromopyruvate take place without any catalyst and organic solvent. The photophysical properties of these compounds were studied by means of UV/visible absorption spectroscopy and fluorescence spectroscopy.

  20. Effects and uptake of polycyclic aromatic compounds in snails (Helix aspersa).

    Science.gov (United States)

    Sverdrup, Line Emilie; De Vaufleury, Annette; Hartnik, Thomas; Hagen, Snorre B; Loibner, Andreas Paul; Jensen, John

    2006-07-01

    The International Standardization Organization recently launched a soil toxicity test with snails (Helix aspersa). We assessed the sensitivity of this test for seven polycyclic aromatic compounds. Control animals had 100% survival and low variability for growth measurements. Maximum exposure concentrations of 2800 mg/kg (4000 mg/kg for acridine) had no effect on survival. Similarly, growth (biomass and shell size) was not affected by pyrene, fluoranthene, fluorene, carbazole, phenanthrene, or acridine, whereas dibenzothiophene gave a 10% effect concentration of 1600 mg/kg. Measured internal concentrations of carbazole, dibenzothiophene, and acridine increased with increasing soil concentrations, but biota-soil accumulation factors were low (0.002-0.1). Compared to previously tested organisms, with all being exposed in the same soil type and under similar test conditions, the H. aspersa test was relatively insensitive to all substances.

  1. Oligoquinolines under Solvent-free Microwave Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kwi-Jeon; Kwon, Tae-Woo [Kyungsung University, Busan (Korea, Republic of)

    2015-01-15

    Quinolines are thermally stable and can be used as an excellent n-type semiconducting materials. Since quinolines are also known to be electron acceptor molecules, combination of various electron donor building blocks can be utilized in photonic and electronic organic light-emitting diode (OLED) applications. For example, donor.acceptor systems with phenothiazine (or carbazole) molecules as electron donors and the phenylquinoline group as an electron acceptor provide an efficient approach for the design of new materials exhibiting highly efficient charge-transfer photophysics and electroluminescence in OLEDs. We have described the Friedlander quinoline synthesis between aminobenzophenones and symmetrical diacetyl compounds having phenothiazine, carbazole, biphenyl, and phenyl moieties under solvent-free microwave irradiation in 12.98% isolated yields.

  2. Fluid Catalytic Cracking Feed Hydrotreatment and its Impact on Distribution of Sulfur and Nitrogen Compounds in FCC Diesel

    Institute of Scientific and Technical Information of China (English)

    Bai Rui; Chai Yongming; Zhang Chengtao; Liu Chenguang

    2015-01-01

    The sulfides and nitrogen compounds in FCC diesel were analyzed by gas chromatography equipped with a pulsed lfame photometric detector (GC-PFPD) and gas chromatography coupled with nitrogen chemiluminescence detection (GC-NCD). And the variation of sulifdes and nitrogen compounds in FCC diesel produced from gas oil feed hydrotreated at different temperatures was investigated. The test results showed that two main types of sulfur compounds, i.e. benzothio-phenes (BTs) and dibenzothiophenes (DBTs) were found in diesel. Nitrogen compounds are mainly composed of non-basic nitrogen compounds, and indoles and carbazoles account for about 98% of the total nitrogen contents. The sulifdes in FCC diesel obtained from hydrotreated feed are mainly BTs with a small amount of 4-MDBT and 4,6-DMDBT. With the increase in FCC feed hydrotreating temperature, indoles content in FCC diesel increases, while carbazoles content decreases.

  3. NOVEL FUROCARBAZOLE A LKALOIDS AND ANTIBACTERIAL ACTIVITY OF ETHANOL EXTRACT FROM Zanthoxylum fagara (L. Sargent

    Directory of Open Access Journals (Sweden)

    Víctor Macías

    2011-04-01

    Full Text Available From ethanol-soluble extract of the bark from Zanthoxylum fagara (L. Sargent. were isolated two novel furocarbazole alkaloids, 4-methoxy-10H-furo[3,2-a]carbazole ( and 10H-furo[3,2-a]carbazole ( , whose structures were elucidated on the basis of IR, MS and NMR (including 1D and 2D techniques. In addition, the antibacterial effect of the ethanol extract of bark was evaluated against Gram-negative bacteria Escherichia coli, Salmonella typhi, Shigella boydii, Vibrio cholerae El Tor, and Vibrio cholerae clinical lysate; and Gram-positive bacteria Bacillus subtilis and Staphylococcus epidermidis, using the Agar-well diffusion method. In above-mentioned assay was found that the ethanol extract of bark exhibited inhibition against strains B. subtilis (17mm, V. cholerae El Tor (11mm, V. cholerae clinical lysate (10mm, and S. epidermidis (9mm.

  4. Oligoquinolines under Solvent-free Microwave Irradiation

    International Nuclear Information System (INIS)

    Quinolines are thermally stable and can be used as an excellent n-type semiconducting materials. Since quinolines are also known to be electron acceptor molecules, combination of various electron donor building blocks can be utilized in photonic and electronic organic light-emitting diode (OLED) applications. For example, donor.acceptor systems with phenothiazine (or carbazole) molecules as electron donors and the phenylquinoline group as an electron acceptor provide an efficient approach for the design of new materials exhibiting highly efficient charge-transfer photophysics and electroluminescence in OLEDs. We have described the Friedlander quinoline synthesis between aminobenzophenones and symmetrical diacetyl compounds having phenothiazine, carbazole, biphenyl, and phenyl moieties under solvent-free microwave irradiation in 12.98% isolated yields

  5. Synthesis and Fluorescence Spectrum of a Novel Pyrazoline Derivative

    Institute of Scientific and Technical Information of China (English)

    X.Y.Han; J.F.Li; P.H.Lin; D.X.Li; C.Dong

    2007-01-01

    1 Results 2-pyrazolines and carbaozole derivatives are well known fluorescent compounds with high quantum yields[1],and have been investigated in many other respects[2,3].In this paper,carbazole radical was introduced to pyrazoline ring on C-5,and a novel derivative,named 1-phenyl-3-biphenyl-5-(N-ethyl carbazole-3-yl)-2-pyrazoline (PBEP) (5) was synthesized: The product PBEP was characterized by IR,1H NMR,and elementary analysis.Yield: 47.2%.M.P 104-106 ℃.1H NMR (CDCl3) δ/10-6: 1.5(3H,—CH3).2.4(2H,—...

  6. Synthesis, Luminescent Properties of aza-Boron-Diquinomethene Difluoride Complexes and Their Application for Fluorescent Security Inks.

    Science.gov (United States)

    Gu, Long; Liu, Rui; Shi, Hong; Wang, Qiang; Song, Guangliang; Zhu, Xiaolin; Yuan, Shidong; Zhu, Hongjun

    2016-03-01

    Two aza-boron-diquinomethene (aza-BODIQU) complexes bearing phenyl and carbazyl substituents were synthesized and characterized. Their photophysical properties were investigated systematically via spectroscopic and theoretical methods. Both complexes exhibit strong (1)π-π* transition absorptions (λ(abs) = 400-540 nm) and intense fluorescent emissions (λ(em) = 440-600 nm, Φ(PL) = 0.93 and 0.78) in CH2Cl2 solution and in solid state at room temperature. Compared to the complex with phenyl groups, the complex bearing carbazyl groups shows significant bathochromic shift in both absorption and emission. This could be attributed to the larger π-electron conjugation of the carbazole unit and intramolecular charge transfer feature from carbazole to aza-BODIQU component. In addition, the complexes exhibit intense photoluminescence and good stability on antacid, anti-alkali and stability in printing ink samples, which makes them potential dopants for the application of fluorescent security inks. PMID:26596734

  7. Synthesis and photoluminescence properties of 8-hydroxyquinoline derivatives and their metallic complexes

    Institute of Scientific and Technical Information of China (English)

    OUYANG Xinhua; ZENG Heping; XIE Yan

    2007-01-01

    Three new 8-hydroxyquinoline derivatives, I.e.5-[(4-styryl-benzylidene)-amino]-quinolin-8-ol (1), 5-[(4-bromo-2-fluoro-benzylidene)-amino]-quinoline-8-ol (2) and 2-[2-(9-ethyl-9H-carbazol-2yl)-vinyl]-quinolin-8-ol (3), and their metallic complexes were synthesized and identified by ultraviolet-visible (UV-Vis), 1H nuclear magnetic resonance(1H NMR), Fourier transform infrared spectrometer (FTIR),mass spectrometry (MS) spectra and elemental analyses.Their fluorescence properties were studied by photolumines-cence, which indicated that the luminescence wavelength of 5- and 2-substitued-8-hydroxyquinoline derivatives shifted to red in comparison with that of 8-hydroxyquinoline.Meanwhile, the fluorescence lifetime of 2-[2-(9-ethyl-9H-carbazol-2yl)-vinyl]-quinolin-8-ol and its zinc complex showed long lifetime in benzene solution.

  8. Synthesis and phosphorescent properties of the copolymers of N-vinylcarbazole, methyl methacrylate and iridium complex

    Science.gov (United States)

    Wang, Wen; Zhou, Minglu; Liang, Luying; Lin, Meijuan; Ling, Qidan

    2014-06-01

    The copolymers containing carbazole unit and iridium complexes, such as (Ir(bpy)2Cl, Ir(mbpy)2Cl and Ir(Brbpy)2Cl, were synthesized via radical copolymerization of N-vinylcarbazole, methyl methacrylate and iridium complex. The synthesized copolymers were characterized by FT-IR, UV-Vis absorption spectroscopy and photoluminescence (PL) spectroscopy, respectively. According to the results, the copolymers (Ir(Brbpy)2Cl/PVK and Ir(mbpy)2Cl/PVK) exhibit yellow phosphorescence with an emission peak at around 553 nm under UV-visible light in the solid state. The results also reveal almost complete energy transfer from the host carbazole segments to the guest Ir complex in the copolymer film when the Ir content reaches 1.0 wt.%. The synthesized copolymers are good candidates as blue or yellow phosphorescent materials for PLED applications.

  9. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Tatsuya Fukushima

    2015-08-01

    Full Text Available Liquid organic light-emitting diodes (liquid OLEDs are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  10. The influence of torsion on excimer formation in bipolar host materials for blue phosphorescent OLEDs.

    Science.gov (United States)

    Rudnick, Alexander A; Bagnich, Sergey; Wagner, Daniel; Athanasopolous, Stavros; Strohriegl, Peter; Köhler, Anna

    2016-06-01

    We present a combined detailed spectroscopic and quantum chemical study on the bipolar host materials BPTRZ and MBPTRZ in solution and in neat film. In the two compounds, the hole transporting carbazole is separated from the electron transporting triazine moiety by a fully aromatic but non-conjugated meta-linked biphenyl unit. The two materials differ by an additional steric twist at the biphenyl in MBPTRZ, which is achieved by methyl-substitution in 2- and 2'-position of the biphenyl. We find that while the twist shifts the triplet state in MBPTRZ to higher energies (3.0 eV in solution) compared to BPTRZ (2.8 eV in solution), this also localizes electron density on the carbazole moiety, leading to excimer formation in neat films. PMID:27276969

  11. Preparation and Identification of Hyaluronic Acid From Fresh Pigskin

    Institute of Scientific and Technical Information of China (English)

    ZHAO Yuhong; HAN Linlin

    2008-01-01

    Hyaluronic acid (HA) had been prepared from pigskin residues with neutral proteinase.The preparing results and conditions were studied.After extracting and purification,HA was detected through ultraviolet spectra and infraction spectrum,and its content and purity were tested by carbazole and Elason-Morgan,respectively.This results indicated that significant quantifies of HA could be prepared in fresh pigskin with biologic enzyme,and the pure HA was cosmetic grade and food grade.

  12. Synthesis of Linearly Fused Benzodipyrrole Based Organic Materials.

    Science.gov (United States)

    Vlasselaer, Maarten; Dehaen, Wim

    2016-01-01

    The objective of this review is to give an overview of the synthetic methods to prepare different indolo[3,2-b]carbazoles and similar systems with a potential use in electro-optical devices such as OLEDs (organic light emitting diode), OPVs (organic photovoltaic) and OFETs (organic field effect transistor). Some further modifications to the core units and their implications for specific applications are also discussed. PMID:27322228

  13. Regioselective functionalization of core-persubstituted perylene diimides.

    Science.gov (United States)

    Yue, Wan; Jiang, Wei; Böckmann, Marcus; Doltsinis, Nikos L; Wang, Zhaohui

    2014-04-25

    Regioselective functionalization of core per-substituted perylene diimides has been achieved efficiently based on a new versatile building block, named tetrabromotetrachloro-perylene-3,4:9,10-tetracarboxylic acid dianhydride (Br4Cl4-PTCDA), which affords a series of novel chromophores with impressive optoelectronic properties. Direct palladium-catalyzed fourfold intramolecular ring fusion affords successfully unique propeller-shaped biscarbazole[2,3-b]carbazole diimides with six annulated rings. PMID:24687914

  14. Synthesis of Linearly Fused Benzodipyrrole Based Organic Materials.

    Science.gov (United States)

    Vlasselaer, Maarten; Dehaen, Wim

    2016-06-17

    The objective of this review is to give an overview of the synthetic methods to prepare different indolo[3,2-b]carbazoles and similar systems with a potential use in electro-optical devices such as OLEDs (organic light emitting diode), OPVs (organic photovoltaic) and OFETs (organic field effect transistor). Some further modifications to the core units and their implications for specific applications are also discussed.

  15. Synthesis of Linearly Fused Benzodipyrrole Based Organic Materials

    Directory of Open Access Journals (Sweden)

    Maarten Vlasselaer

    2016-06-01

    Full Text Available The objective of this review is to give an overview of the synthetic methods to prepare different indolo[3,2-b]carbazoles and similar systems with a potential use in electro-optical devices such as OLEDs (organic light emitting diode, OPVs (organic photovoltaic and OFETs (organic field effect transistor. Some further modifications to the core units and their implications for specific applications are also discussed.

  16. Organic photoredox catalysis for the oxidation of silicates: applications in radical synthesis and dual catalysis.

    Science.gov (United States)

    Lévêque, Christophe; Chenneberg, Ludwig; Corcé, Vincent; Ollivier, Cyril; Fensterbank, Louis

    2016-08-01

    Metal free photooxidation of alkyl bis(catecholato)silicates with the organic dye 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyano-benzene (4CzIPN) allows the smooth formation of alkyl radicals. The latter can be efficiently engaged either with radical acceptors to provide homolytic addition products or in photoredox/nickel dual catalysis reactions to obtain cross-coupling products.

  17. Exploiting the Distal Reactivity of Indolyl Methylenemalononitriles: An Asymmetric Organocatalyzed [4+2] Cycloaddition with Enals Enables the Assembly of Elusive Dihydrocarbazoles.

    Science.gov (United States)

    Rassu, Gloria; Curti, Claudio; Zambrano, Vincenzo; Pinna, Luigi; Brindani, Nicoletta; Pelosi, Giorgio; Zanardi, Franca

    2016-08-26

    An unprecedented technique for the in situ generation of indolyl ortho-quinodimethanes from 2-methylindole-based methylenemalononitriles by amine-mediated remote C(sp(3) )-H deprotonation was developed. These intermediates were efficiently trapped by diverse enals to provide a rapid entry to 2,9-dihydro-1H-carbazole-3-carboxyaldehyde structures through a formal asymmetric [4+2] eliminative cycloaddition governed by a α,α-diphenylprolinol trimethylsilyl ether catalyst.

  18. Dibenzofuran degradation by Sphingomonas wittichii RW1 under environmental stresses

    OpenAIRE

    Coronado E.

    2013-01-01

    Sphingomonas wittichii is a gram-negative Alpha-proteobacterium, capable of degrading xenobiotic compounds such as dibenzofuran (DBF), dibenzo-p-dioxin, carbazole, 2-hydroxybiphenyl or nitro diphenyl ether herbicides. The metabolism of strain RW1 has been the subject of previous studies and a number of genes involved in DBF degradation have been characterized. It is known that RW1 posseses a unique initial DBF dioxygenase (encoded by the dxnAl gene) that catalyzes the first step in the degrad...

  19. Wavelength Dependence of a Two-Beam Coupling Measurement on a Fully Functional Photorefractive Polymer

    Institute of Scientific and Technical Information of China (English)

    张波; Geon Joon Lee; 刘慧; 龚旗煌; Jiwon Sohn; Jaehoon Hwang; Soo Young Park; Jin-Kyung Lee; Jai-Hyung Lee; Joon-Sung Chang

    2002-01-01

    We have investigated the photorefractive properties of a fully functional polymer, 9-(2-Ethyl-hexyl)-3-[2-(4-methanesulfonyl-phenyl)vinyl]-9H-carbazole, using a multiline He-Ne laser. We measured the wavelength-dependent two-beam coupling coefficient, which exhibited a maximal value of 105 cm- 1 at 609 nm under an applied electric field of 84 V/μm at room temperature.

  20. Effects of Substituents in Polyvinylcarbazole Structures on Their Optical Properties

    CERN Document Server

    Vertsimakha, Ya; Syromyatnikov, V; Savchenko, I

    2016-01-01

    Absorption, photoluminescence, and photoluminescence excitation spectra of solutions and thin films of N-vinylcarbazole polymers and copolymers with various substituents directly on the carbazole moiety and on the polymer chain were studied comprehensively. Polymers that were used previously to develop polymer composites with polymethine dyes having photosensitivity over a broad spectral range including the visible and near-IR regions were selected for the studies.

  1. Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery.

    Science.gov (United States)

    Stoeck, Ulrich; Senkovska, Irena; Bon, Volodymyr; Krause, Simon; Kaskel, Stefan

    2015-01-21

    Two new mesoporous metal-organic frameworks (DUT-75 and DUT-76) with exceptional ethene uptake were obtained using carbazole dicarboxylate based metal-organic polyhedra as supermolecular building blocks. The compounds have a total pore volume of 1.84 and 3.25 cm(3) g(-1) and a specific BET surface area of 4081 and 6344 m(2) g(-1), respectively, and high gas uptake at room temperature and high pressure.

  2. Isoindigo-Based Small Molecules with Varied Donor Components for Solution-Processable Organic Field Effect Transistor Devices.

    Science.gov (United States)

    Patil, Hemlata; Chang, Jingjing; Gupta, Akhil; Bilic, Ante; Wu, Jishan; Sonar, Prashant; Bhosale, Sheshanath V

    2015-09-18

    Two solution-processable small organic molecules, (E)-6,6'-bis(4-(diphenylamino)phenyl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S10) and (E)-6,6'-di(9H-carbazol-9-yl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S11) were successfully designed, synthesized and fully characterized. S10 and S11 are based on a donor-acceptor-donor structural motif and contain a common electron accepting moiety, isoindigo, along with different electron donating functionalities, triphenylamine and carbazole, respectively. Ultraviolet-visible absorption spectra revealed that the use of triphenylamine donor functionality resulted in an enhanced intramolecular charge transfer transition and reduction of optical band gap, when compared with its carbazole analogue. Both of these materials were designed to be donor semiconducting components, exerted excellent solubility in common organic solvents, showed excellent thermal stability, and their promising optoelectronic properties encouraged us to scrutinize charge-carrier mobilities using solution-processable organic field effect transistors. Hole mobilities of the order of 2.2 × 10(-4) cm²/Vs and 7.8 × 10(-3) cm²/Vs were measured using S10 and S11 as active materials, respectively.

  3. Bioactive constituents of Clausena lansium and a method for discrimination of aldose enantiomers.

    Science.gov (United States)

    Shen, De-Yang; Chao, Chih-Hua; Chan, Hsiu-Hui; Huang, Guan-Jhong; Hwang, Tsong-Long; Lai, Chin-Yu; Lee, Kuo-Hsiung; Thang, Tran Dinh; Wu, Tian-Shung

    2012-10-01

    Glycosides, clausenosides A and B, and carbazole alkaloids, clausenaline A, claulamine A, and claulamine B, together with 50 known compounds, were isolated from the stems of Clausena lansium. Their structures were determined by means of spectroscopic methods, including that of CD and 1D/2D NMR analysis. Claulamine A has a 1-oxygenated carbazole skeleton with a rare 2,3-lactone ring, and claulamine B represents an hitherto unknown acetal carbazole alkaloid. Thirty-one of the isolated known compounds were evaluated in various assays for anti-inflammatory activity. Among them, imperatorin, isoheraclenin, and osthol exhibited selective and potent inhibition of formyl-l-methionyl-l-leucyl-l-phenylalanine/cytochalasin B (fMLP/CB)-induced superoxide anion generation, and lansiumarin C also decreased nitric oxide (NO) and tumor necrosis factor-α (TNF-α) production in lipopolysaccharide (LPS)-induced macrophages. In addition, a modified HPLC method of pre-column derivatization was developed that is more practical for simultaneous analysis of aldose enantiomers as compared to the literature method. The absolute configurations of the sugar moieties in clausenosides A and B were determined with this modified method. PMID:22818357

  4. Density functional theory study of new azo dyes with different π-spacers for dye-sensitized solar cells

    Science.gov (United States)

    Bagheri Novir, Samaneh; Hashemianzadeh, Seyed Majid

    2015-05-01

    Some of new azo-based metal-free dyes with different π-conjugation spacers, such as carbazole, fluorene, pyrrole, thiophene, furan and thiazole, have been investigated with density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. Theoretical calculations allow us to quantify factors such as light harvesting efficiency (LHE), electron injection driving force (ΔGinject) and the weight of the LUMO orbital on the carboxylic group (QLUMO) related to the short-circuit photocurrent density (Jsc), and to evaluate both charge recombination between the semiconductor conduction band electrons and the oxidized dyes and/or electrolyte, and also the shift of the conduction band of the semiconductor as a result of the adsorption of the dyes onto the semiconductor surface, associated with the open-circuit photovoltage (Voc). According to the results, we could predict that how the π-conjugation spacers influence the Jsc as well as the Voc of DSSCs. Among these dyes, the carbazole and fluorene-based dyes (dyes 1 and 2) show the highest LHE, ΔGinject, QLUMO, and the slowest recombination rate. Consequently, the obtained results show that the carbazole and fluorene-based dyes could have the better Jsc and Voc compared to the other dyes.

  5. Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs.

    Science.gov (United States)

    Bauer, Matthias R; Jones, Rhiannon N; Baud, Matthias G J; Wilcken, Rainer; Boeckler, Frank M; Fersht, Alan R; Joerger, Andreas C; Spencer, John

    2016-08-19

    Many oncogenic mutants of the tumor suppressor p53 are conformationally unstable, including the frequently occurring Y220C mutant. We have previously developed several small-molecule stabilizers of this mutant. One of these molecules, PhiKan083, 1-(9-ethyl-9H-carbazole-3-yl)-N-methylmethanamine, binds to a mutation-induced surface crevice with a KD = 150 μM, thereby increasing the melting temperature of the protein and slowing its rate of aggregation. Incorporation of fluorine atoms into small molecule ligands can substantially improve binding affinity to their protein targets. We have, therefore, harnessed fluorine-protein interactions to improve the affinity of this ligand. Step-wise introduction of fluorines at the carbazole ethyl anchor, which is deeply buried within the binding site in the Y220C-PhiKan083 complex, led to a 5-fold increase in affinity for a 2,2,2-trifluoroethyl anchor (ligand efficiency of 0.3 kcal mol(-1) atom(-1)). High-resolution crystal structures of the Y220C-ligand complexes combined with quantum chemical calculations revealed favorable interactions of the fluorines with protein backbone carbonyl groups (Leu145 and Trp146) and the sulfur of Cys220 at the mutation site. Affinity gains were, however, only achieved upon trifluorination, despite favorable interactions of the mono- and difluorinated anchors with the binding pocket, indicating a trade-off between energetically favorable protein-fluorine interactions and increased desolvation penalties. Taken together, the optimized carbazole scaffold provides a promising starting point for the development of high-affinity ligands to reactivate the tumor suppressor function of the p53 mutant Y220C in cancer cells. PMID:27267810

  6. Total alkyl dibenzothiophenes content tracing the filling pathway of condensate reservoir in the Fushan Depression,South China Sea

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The condensates are generally characterized by high maturity,low concentration of steranes and ter-panes biomarkers and low content of non-hydrocarbon fraction. In this case commonly used steranes,terpanes and carbazoles parameters cannot be effectively applied in the reservoir-filling tracing. The hydrogen bond formed by sulfur atom in the dibenzothiophenes (DBTs) results in molecule adsorption and fractionation during oil migration in reservoir. Like carbazoles,total DBTs content decreases with the increasing of oil migration distance. Therefore,a new parameter——total DBTs content is proposed to be used to trace the oil migration orientation and filling pathway. In present study,total DBTs con-tents of condensates and light oils are obtained by adding internal standard——eight deuterium atoms substituted DBT during Gas Chromatography-Mass Spectrometry analysis of aromatic fraction. Except for a few samples with much lower content of non-hydrocarbon fraction,the total DBTs content shows a fine positive correlation with that of carbazoles. Large errors can be caused in the process of pyrrolic nitrogen compounds separation. The application of this new parameter in the Fushan Depression of Beibu Gulf Basin,South China Sea indicates that this parameter is a reliable one to trace filling pathway in condensate reservoirs. Combined with other DBTs-related parameters,such as 4-/1-methydibenzo-thiophene and 2,4-/1,4-dimethyldibenzothiophene,oil migration orientation and filling pathway of the Fushan Depression was determined. The accumulations of Huachang oil field in the Fushan Depres-sion are mainly migrated and charged from northeast to southeast along the Huachang uplift. It can be predicated that the light oil and condensates in the Huachang oil field should be sourced from the source kitchen at the Bailian Sag. It shows that total DBTs content is an effective parameter to tracing oil migration orientation and filling pathway.

  7. Dynamic quenchers in fluorescently labeled membranes. Theory for quenching in a three-phase system.

    Science.gov (United States)

    Omann, G M; Glaser, M

    1985-05-01

    The theory for quenching of fluorescently labeled membranes by dynamic quenchers is described for a three-phase system: a fluorescently labeled membrane, a nonlabeled membrane, and an aqueous phase. Two different experimental protocols are possible to determine quenching parameters. Using the first protocol, partition coefficients and bimolecular quenching constants were determined for a hydrophobic quencher in carbazole-labeled membranes in the presence of an unlabeled reference membrane. These parameters determined for 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (DDE) using this three-phase analysis were in good agreement with values determined by a two-phase analysis without the reference lipid. Hence, the theory was verified. In the second protocol, the quencher partition coefficient was determined for unlabeled membranes in the presence of a carbazole-labeled reference membrane. Partition coefficients for DDE determined by this method were the same as partition coefficients determined for carbazole-labeled membranes using the two-phase analysis. The greater ease in determining partition coefficients and bimolecular quenching constants by the three-phase analysis and, in particular, the ability to determine the partition coefficient in unlabeled membranes make the three-phase analysis especially useful. This method was used to study the effect varying the membrane lipid composition has on the partition coefficient. The data indicate that partition coefficients of DDE in fluid membranes are not dramatically dependent upon polar head group composition, fatty acid composition, or cholesterol content. However, partitioning into gel-phase lipids is at least 100-fold less than fluid-phase lipids.

  8. Optical and THz reflectance investigations of organic solar cells

    Science.gov (United States)

    Sporea, Dan; Mihai, Laura; Sporea, Adelina; Galagan, Yulia

    2016-04-01

    Two Organic Photovoltaic devices having a photoactive layer containing Poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5- (4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM, 99%), and the layer sequences - glass/ITO/ZnO/PAL/PEDOT:PSS/Ag/encapsulation were non-destructively investigated by diffuse optical spectral reflectance, THz spectroscopy and THz imaging. The proposed methods proved to be powerful tools to support quality assurance in organic solar cells development, facilitating both the localization of manufacturing defects and the device degradation, as they are combined with "classical" evaluation means.

  9. Strategy to Boost the Efficiency of Mixed-Ion Perovskite Solar Cells: Changing Geometry of the Hole Transporting Material.

    Science.gov (United States)

    Zhang, Jinbao; Xu, Bo; Johansson, Malin B; Vlachopoulos, Nick; Boschloo, Gerrit; Sun, Licheng; Johansson, Erik M J; Hagfeldt, Anders

    2016-07-26

    The hole transporting material (HTM) is an essential component in perovskite solar cells (PSCs) for efficient extraction and collection of the photoinduced charges. Triphenylamine- and carbazole-based derivatives have extensively been explored as alternative and economical HTMs for PSCs. However, the improvement of their power conversion efficiency (PCE), as well as further investigation of the relationship between the chemical structure of the HTMs and the photovoltaic performance, is imperatively needed. In this respect, a simple carbazole-based HTM X25 was designed on the basis of a reference HTM, triphenylamine-based X2, by simply linking two neighboring phenyl groups in a triphenylamine unit through a carbon-carbon single bond. It was found that a lowered highest occupied molecular orbital (HOMO) energy level was obtained for X25 compared to that of X2. Besides, the carbazole moiety in X25 improved the molecular planarity as well as conductivity property in comparison with the triphenylamine unit in X2. Utilizing the HTM X25 in a solar cell with mixed-ion perovskite [HC(NH2)2]0.85(CH3NH3)0.15Pb(I0.85Br0.15)3, a highest reported PCE of 17.4% at 1 sun (18.9% under 0.46 sun) for carbazole-based HTM in PSCs was achieved, in comparison of a PCE of 14.7% for triphenylamine-based HTM X2. From the steady-state photoluminescence and transient photocurrent/photovoltage measurements, we conclude that (1) the lowered HOMO level for X25 compared to X2 favored a higher open-circuit voltage (Voc) in PSCs; (2) a more uniform formation of X25 capping layer than X2 on the surface of perovskite resulted in more efficient hole transport and charge extraction in the devices. In addition, the long-term stability of PSCs with X25 is significantly enhanced compared to X2 due to its good uniformity of HTM layer and thus complete coverage on the perovskite. The results provide important information to further develop simple and efficient small molecular HTMs applied in solar cells

  10. Charge Formation, Recombination, and Sweep-Out Dynamics in Organic Solar Cells

    OpenAIRE

    Cowan, Sarah R.; Banerji, Natalie; Leong, Wei Lin; Heeger, Alan J.

    2012-01-01

    This article presents a critical discussion of the various physical processes occurring in organic bulk heterojunction (BHJ) solar cells based on recent experimental results. The investigations span from photoexcitation to charge separation, recombination, and sweep-out to the electrodes. Exciton formation and relaxation in poly[N-9?-hepta-decanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole) (PCDTBT) and poly-3(hexylthiophene) (P3HT) are discussed based on a fluorescen...

  11. Polarization holographic gratings in hybrid solgel films doped with Disperse Red 1.

    Science.gov (United States)

    Raschellà, Raffaella; Marino, Iari-Gabriel; Lottici, Pier Paolo; Bersani, Danilo

    2003-11-15

    Polarization holographic gratings in sp configuration are written at 488 nm in photorefractive organic-inorganic films based on SiO2. The films, prepared by a solgel technique, contain Disperse Red 1, carbazole units, and 2,4,7-trinitro-9-fluorenone. The gratings are characterized by their diffraction efficiency for a 632.8-nm probe. The polarization gratings act as a half-wave plate, and the diffraction efficiency is independent of the polarization direction of the probe. PMID:14649954

  12. Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra.

    Science.gov (United States)

    Lu, Weigang; Yuan, Daqiang; Makal, Trevor A; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai

    2013-02-01

    Two dicopper(II)-paddlewheel-based metal-organic frameworks (PCN-81 and -82) have been synthesized by using tetratopic ligands featuring 90°-carbazole-dicarboxylate moieties. Both adopt 12-connected tfb topology with nanoscopic octahedra as building units. The freeze-dried PCN-82 shows Brunauer-Emmett-Teller (BET) and Langmuir surface areas as high as 4488 and 4859 m(2) g(-1), respectively. It also exhibits high H(2)-adsorption capacity at low pressure (300 cm(3) g(-1) or 2.6 wt% at 77 K and 1 bar), which can be attributed to its high surface area, microporosity, and open metal sites. PMID:23160711

  13. Is organic photovoltaics promising for indoor applications?

    Science.gov (United States)

    Lee, Harrison K. H.; Li, Zhe; Durrant, James R.; Tsoi, Wing C.

    2016-06-01

    This work utilizes organic photovoltaics (OPV) for indoor applications, such as powering small electronic devices or wireless connected Internet of Things. Three representative polymer-based OPV systems, namely, poly(3-hexylthiophene-2,5-diyl), poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)], and poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl

  14. Largely enhanced efficiency with a PFN/Al bilayer cathode in high efficiency bulk heterojunction photovoltaic cells with a low bandgap polycarbazole donor

    Energy Technology Data Exchange (ETDEWEB)

    He, Zhicai; Zhang, Chen; Xu, Xiaofeng; Zhang, Lianjie; Huang, Liang; Chen, Junwu; Wu, Hongbin; Cao, Yong [Institute of Polymer Optoelectronic Materials and Devices, State Key Laboratory of Physics and Chemistry of Luminescence, South China University of Technology, Guangzhou 510640 (China)

    2011-07-19

    Quinoxaline-containing poly(4,5-ethylene-2,7-carbazole) (PECz-DTQx) shows a high efficiency of 6.07% in solar cells with a PFN/Al bilayer cathode. This is higher than the efficiency achieved with sole Al (3.99%) or with Ca/Al (4.52%) cathodes. A bilayer cathode could be valuable in device configurations to achieve high efficiency in combination with a high-performance polymer donor. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Chemical Constituents from Stem Bark and Roots of Clausena anisata

    Directory of Open Access Journals (Sweden)

    Etienne Dongo

    2012-11-01

    Full Text Available Phytochemical investigations on the stem bark and roots of the tropical shrub Clausena anisata led to the isolation and characterization three carbazole alkaloids: girinimbine, murrayamine-A and ekeberginine; two peptide derivatives: aurantiamide acetate and N-benzoyl-l-phenylalaninyl-N-benzoyl-l-phenylalaninate; and a mixture of two phytosterols: sitosterol and stigmasterol. The structures of these compounds were established by nuclear magnetic resonance (1H-NMR, 13C-NMR, COSY, HSQC, HMQC, HMBC and NOESY spectroscopy and electrospray ionization mass spectrometry (MS.

  16. Polymer light-emitting devices using poly(ethylene oxide) as an electron injecting layer

    Institute of Scientific and Technical Information of China (English)

    M. V. Madhava Rao; Tsung-Syun Huang; Yan-Kuin Su; Ming-Lung Tu; Chun-Yuan Huang; Shang-Shung Wu

    2010-01-01

    The performance of polymer light emitting devices (PLEDs) based on polyvinyl carbazole (PVK) is improved by introducing a nanoscale interfacial thin layer, made of poly(ethylene oxide) (PEO), between the calcium cathode and the PVK emissive layer. It is believed that the PEO layer plays a key role in enhancing the device performance. In comparison to the device with Ca/Al as the cathode, the performance of the PLED with PEO/Ca/Al cathode, including the driving voltage, luminance efficiency is significantly improved. These improvements are attributed to the introduction of a thin layer of PEO that can lower the interfacial barrier and facilitate electron injection.

  17. Effect of Low Molecule Polyamide and Nano-SiO2 on Properties of the Poly (MMA/BA/MAA)

    Institute of Scientific and Technical Information of China (English)

    Wenjun ZOU; Bo LIAO; Jin PENG; Linqi ZHANG; Yun YANG; Furen XIAO

    2007-01-01

    Effects of Iow molecule polyamide (LMPA) and namometer SiO2 particles on the properties of the poly (MMA/BA/MAA) adhesive for wearable and nonskid PVC (polyvinyl carbazole) materials were investigated. The experimental results show that the shear strength of poly (MMA/BA/MAA)/LMPA is increased, when the LMPA is added into poly (MMA/BA/MAA). The optimum addition of LMPA is about 4 wt pct. By adding 3 wt pct nano-SiO2 into poly (MMA/BA/MAA)/LMPA adhesive, its properties such as the shear strength,thermal stability, wear resistance and sea waterproof resistance are increased too.

  18. Design and analysis of optically pumped semiconductor VECSEL with ANECz optical control layer

    Institute of Scientific and Technical Information of China (English)

    Yuqi Zhou; Dapeng Zhao; Yajuan Li; Qingxin Yang

    2008-01-01

    Through the reversible isomerization of trans-cis-trans under the linear polarization light, the molecules of azo materials have the same tropism which is vertical to the polarization of light. This means that azo materials have photo-induced birefringence which is related to optical power and polarization angle of the light. Based on the photo-induced birefringence of azo materials, we design a new type of optically pumped semiconductor vertical external cavity surface emitting laser (OPS-VECSEL) which can control the polarization and frequency of the ejection laser. The functional molecules of azo materials are [3-azo- (4'nitro)]-(9-ethyl)-carbazole (ANECz).

  19. Synthesis and Electrochemical Characterization of Azomethine Containing N-Ethylcarbazole Group

    Institute of Scientific and Technical Information of China (English)

    LI Ya-peng; SUN Li-min; SUN Ming-hao; LI Hong-tu; ZHANG Hong-wen; WANG Jing-yuan

    2005-01-01

    Conjugated aromatic azomethines containing a carbazole group were synthesized. Their structures have been confirmed by IR, MS and UV spectrometries. When iodine was used as the dope to the conjugated compounds, the electrical conductivities (EC) of the doped conjugated compounds were increased by several orders of magnitude. The thermal stability of these two compounds investigated by TGA shows a good result, which guarantees the correct result of EC when the compounds are heated. As can be seen from the CV characterization of the electrochemical properties .of these two compounds, the azomethine diamine and p-aminophenyl-9-ethylcarbazolyl azomethine possess electrochemical activity, which arises from the heteroatom of molecules.

  20. Chemical physics behind formation of efficient charge-separated state for complexation between PC70BM and designed diporphyrin in solution

    Science.gov (United States)

    Ray, Anamika; Banerjee, Shrabanti; Ghosh, Shalini; Bauri, Ajoy K.; Bhattacharya, Sumanta

    2016-01-01

    The present work reports supramolecular interaction of [6,6]-phenyl C71 butyric acid methyl ester (PC70BM) with two designed diporphyrin molecules having dithiophene (1) and carbazole (2) spacer in solvent having varying polarity. Studies on complex formation reveal relatively higher binding constant for PC70BM/2 complex in all the solvent studied. Solvent dependence of charge separation and charge recombination processes in PC70BM/diporphyrin non-covalent complexes has been well established in present work. Donor-acceptor geometry and stabilization of the singlet excited state of the diporphyrin during charge recombination are considered to be the possible reasons for this behavior.

  1. Synthesis and photovoltaic properties of new europium complex Eu(DBM)3(CPyBM)

    Institute of Scientific and Technical Information of China (English)

    Li Ying Zhang; Bin Li; Shu Mei Yue; Wen Lian Li

    2007-01-01

    A new europium(Ⅲ) complex, tris(dibenzoylmethanate){1-[9-hexyl-9-carbazole]-2-(2-pyridyl)-benzimidazole]europium(Ⅲ)[Eu(DBM)3(CPyBM)] was synthesized and used as an electron-acceptor and electron-transport layer in organic photovoltaic (PV)device. Power conversion efficiency achieved from the device was 1.04% under illumination with 365 nm UV light at 1.6 mW/cm2.Compared with the previous reported devices based on Eu(Ⅲ) complexes, the PV performances were improved. The working mechanism of the organic PV device was discussed.

  2. 基于分子对接研究吲哚咔唑类小分子对Tie-2/VEGFR2的双效抑制作用模式%Studies on Interactions between Tie-2/VEGFR2 and Dihydroindazolocarbazole Dual Inhibitors via Molecular Docking

    Institute of Scientific and Technical Information of China (English)

    田元新; 张贤祚; 安林坤

    2012-01-01

    Dihydroindazolocarbazoles (DHI-carbazoles) are the potent dual inhibitors to VEGFR2 and Tie-2. In this work, the mechanism of interaction between VEGFR2/Tie-2 and DHI-carbazoles was performed with Surflex-dock. The results from molecular docking indicated that DHI-carbazoles competitively bound to the active site, which was the substrate ATP in VEGFR2/Tie-2 with high affinity. The differences of activity between VEGFR2 and Tie-2 resulted from the minor difference of active pockets. Hydro-phobic effect played a key role in the formation and stability. Hydrogen bond and electrostatic effect also contributed to the difference. This work elucidated the antitumor mechanism of the DHI-carbazoles as a dual potent inhibitor and provided theoretical basis for the design of tyrosine kinase inhibitors.%运用分子对接技术研究了吲哚咔唑类小分子对人血管内皮生长因子受体2 (VEGFR2)和人血管生成素受体Tie-2 (ANG-R-Tie-2)的双效抑制作用模式.研究结果表明,吲哚咔唑类小分子的双效抑制作用主要源于两种受体相似的活性口袋,小分子与两者的铰链区均可形成氢键,使其催化活性受到抑制,从而抑制肿瘤细胞的生长.抑制活性的差异主要源于活性口袋的细微差异所导致疏水、静电等相互作用的不同.其中,疏水作用的差异是影响配体选择性的主要原因,静电作用、氢键及空间位阻对结合稳定也有一定影响.该文的研究结果为多靶点酪氨酸激酶小分子抑制剂的设计及提高激酶抑制剂的选择性提供了重要的理论依据.

  3. 8-THP-DHI analogs as potent Type I dual TIE-2/VEGF-R2 receptor tyrosine kinase inhibitors.

    Science.gov (United States)

    Hudkins, Robert L; Zulli, Allison L; Underiner, Ted L; Angeles, Thelma S; Aimone, Lisa D; Meyer, Sheryl L; Pauletti, Daniel; Chang, Hong; Fedorov, Elena V; Almo, Steven C; Fedorov, Alexander A; Ruggeri, Bruce A

    2010-06-01

    A novel series of 8-(2-tetrahydropyranyl)-12,13-dihydroindazolo[5,4-a]pyrrolo[3,4-c]carbazoles (THP-DHI) was synthesized and evaluated as dual TIE-2 and VEGF-R2 receptor tyrosine kinase inhibitors. Development of the structure-activity relationships (SAR) with the support of X-ray crystallography led to identification of 7f and 7g as potent, selective dual TIE-2/VEGF-R2 inhibitors with excellent cellular potency and acceptable pharmacokinetic properties. Compounds 7f and 7g were orally active in tumor models with no observed toxicity.

  4. Studies in benzimidazo [2,1-a] isoquinoline chemistry

    OpenAIRE

    Donaghy, Michael

    2001-01-01

    Studies in Benzimidazo[2,1-a]isoquinoline Chemistry by Michael John Donaghy B. Sc. (Hons.) Ellipticine, a member of the pyrido[4,3-b]carbazole alkaloid family first isolated in 1959 from the leaves of the plant Ochrosia Elliptica has been shown to possess anti-cancer activity against various tumours. Ellipticine is thought to undergo biological oxidation to give the more active 9-hydroxyellipticine that is subsequently converted to a highly reactive quinone-imine intermediate. The quinone-imi...

  5. High Efficiency Polymer Solar Cells with Long Operating Lifetimes

    KAUST Repository

    Peters, Craig H.

    2011-04-20

    Organic bulk-heterojunction solar cells comprising poly[N-9\\'-hepta-decanyl- 2,7-carbazole-alt-5,5-(4\\',7\\'-di-2-thienyl-2\\', 1\\',3\\'-benzothiadiazole) (PCDTBT) are systematically aged and demonstrate lifetimes approaching seven years, which is the longest reported lifetime for polymer solar cells. An experimental set-up is described that is capable of testing large numbers of solar cells, holding each device at its maximum power point while controlling and monitoring the temperature and light intensity. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. One-Pot Synthesis of Tetraphene and Construction of Expanded Conjugated Aromatics.

    Science.gov (United States)

    Wang, Jianbo; Yao, Jinzhong; Wang, Hailong; Chen, Hao; Dong, Jingcheng; Zhou, Hongwei

    2016-06-17

    Acene derivatives as a class of polycyclic aromatic hydrocarbons have attracted considerable interest because of their outstanding semiconductor properties. We developed a one-pot synthesis for fully conjugated tetraphene via a sequence of propargyl-allenyl isomerization, phosphine addition, intramolecular Wittig reactions, and Diels-Alder cyclization reactions. The derivative-conjugated aromatic compounds including carbazole or triphenylamine have been constructed via Pd-catalyzed coupling reaction with dibromotetraphene. These compounds show superior photophysical and electrochemical properties, which make them possible candidates for optoelectronic conjugated materials.

  7. 40 CFR 437.47 - Pretreatment standards for new sources (PSNS).

    Science.gov (United States)

    2010-07-01

    ... Wastestreams § 437.47 Pretreatment standards for new sources (PSNS). (a) Except as provided in 40 CFR 403.7 or...-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 o-Cresol 1.92 0.561 p-Cresol 0.698 0.205 n-Decane 0... 1.92 0.561 p-Cresol 0.698 0.205 2,4,6-Trichlorophenol 0.155 0.106 1 mg/L (ppm). (2) The following...

  8. 40 CFR 437.46 - Pretreatment standards for existing sources (PSES)

    Science.gov (United States)

    2010-07-01

    ... Wastestreams § 437.46 Pretreatment standards for existing sources (PSES) (a) Except as provided in 40 CFR 403.7... Parameters Bis(2-ethylhexyl) phthalate 0.267 0.158 Carbazole 0.392 0.233 o-Cresol 1.92 0.561 p-Cresol 0.698 0....561 p-Cresol 0.698 0.205 2,4,6-Trichlorophenol 0.155 0.106 1 mg/L (ppm). (2) The following...

  9. 40 CFR 437.42 - Effluent limitations attainable by the application of the best practicable control technology...

    Science.gov (United States)

    2010-07-01

    ...) Except as provided in 40 CFR 125.30 through 125.32 or § 437.40(b), any existing facility subject to this....188 0.0887 Carbazole 0.598 0.276 o-Cresol 1.92 0.561 p-Cresol 0.698 0.205 n-Decane 0.948 0.437... Parameters Acetone 30.2 7.97 Acetophenone 0.114 0.0562 2-Butanone 4.81 1.85 o-Cresol 1.92 0.561 p-Cresol...

  10. 1,3-Diphenylethenylcarbazolyl-Based Monomer for Cross-Linked Hole Transporting Layers

    Directory of Open Access Journals (Sweden)

    Maryte Daskeviciene

    2015-05-01

    Full Text Available A new cross-linkable monomer containing 1,3-diphenylethenylcarbazolyl-based hole-transporting moieties and four reactive epoxy groups, was prepared by a multistep synthesis route from 1,3-bis(2,2-diphenylethenyl-9H-carbazol-2-ol and its application for the in situ formation of cross-linked hole transporting layers was investigated. A high concentration of flexible aliphatic epoxy chains ensures good solubility and makes this compound an attractive cross-linking agent. The synthesized compounds were characterized by various techniques, including differential scanning calorimetry, xerographic time of flight, and electron photoemission in air methods.

  11. Graphene oxide hole transport layers for large area, high efficiency organic solar cells

    OpenAIRE

    Smith, CTG; Rhodes, RW; Beliatis, MJ; Jayawardena, KDGI; Rozanski, LJ; Mills, CA; Silva, SRP

    2014-01-01

    Graphene oxide (GO) is becoming increasingly popular for organic electronic applications. We present large active area (0.64 cm^2), solution processable, poly[[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl]:[6,6]-Phenyl C71 butyric acid methyl ester (PCDTBT:PC70BM) organic photovoltaic (OPV) solar cells, incorporating GO hole transport layers (HTL). The power conversion efficiency (PCE) of ~5% is the highest reported for OPV using ...

  12. INFLUENCES OF MOLECULAR WEIGHT AND BRANCHING PARAMETER OF LACQUER POLYSACCHARIDE ON THE GROWTH OF LEUCOCYTES

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lina; DING Qiong

    1995-01-01

    A method of determining branching parameter of lacquer polysaccharide was established by acid-base back-titration of terminal uronic acid of branches. The branching factors obtained are in agreement with the values determined by colorimetric method with carbazole and the results estimated by using Zimm-Stockmayer equation from viscosity data. Influences of molecular weights and branching factors of five fractions of lacquer polysaccharide on the bioactivities were studied. The results show that the polysaccharides have bioactivities in motivating the growth of leucocytes, and the effect increases with the decrease of molecular weight and branching factor in the range studied(17×104>Mw>4×104).

  13. Highly Efficient PCDTBT:PC71 BM Based Photovoltaic Devices without Thermal Annealing Treatment

    Institute of Scientific and Technical Information of China (English)

    杨少鹏; 孔伟光; 刘博雅; 郑文耀; 李保民; 刘贤豪; 傅广生

    2011-01-01

    We propose an effective method to fabricate highly efficient organic photovoltaic cells based on poly [N-9"-hepta-decanyl-2, 7-carbazole-alt-5,5-(4'7'-di-2-thienyl-2'l '3'-b-enzothiadiazole):[6,6]-phenyl Cji-butyric acid methyl ester (PCDTBT.PC71BM). A power conversion efficiency of as high as 5.6% and a fill factor of 53.7% are achieved from the optimized cells. The influence of surface morphology of the active layer on the performance of the cells is also investigated.%We propose an effective method to fabricate highly efficient organic photovoltaic cells based on poly[N-9”-hepta-decanyl-2,7-carbazole-alt-5,5-(4'7'-di-2-thienyl-2'1 '3'-b-enzothiadiazole):[6,6]-phenyl C71-butyric acid methyl ester(PCDTBT:PC71BM).A power conversion efficiency of as high as 5.6% and a fill factor of 53.7% are achieved from the optimized cells.The influence of surface morphology of the active layer on the performance of the cells is also investigated.

  14. Hydrogenation of heteroaromatics by high pressure DTA techniques. 3; Koatsu DTA ho ni yoru hokozoku kagobutsu no suisoka (rutenium tanji shokubai ni yoru kakusuisoka datsu hetero hanno)

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, M.; Yoshida, T. [Hokkaido National Industrial Research Institute, Sapporo (Japan); Kotanigawa, T. [Japan International Cooperation Agency, Tokyo (Japan)

    1996-10-28

    Ring-opening of heteroaromatics and heteroatom-removal reaction were studied experimentally using the acidic catalyst containing phosphoric acid for improvement of an upgrading method of coal derived oils. In experiment, some Ru-carrying metal oxide catalysts such as RMZ, RML and RMN catalyst, and MNP catalyst containing phosphoric acid were used as specimens. Nuclear hydrogenation reaction and hydro-denitrogenation reaction of dibenzothiophene and carbazole were compared with each other. The experimental results are as follows. Both RMN and RMNP catalysts offer a superior selectivity in nuclear hydrogenation reaction and hydro-denitrogenation reaction of carbazole. Although both catalysts offer an extremely high nuclear hydrogenation activity at 360{degree}C, these offer the high selectivity of denitrogenation products at 430{degree}C. In comparison of the activities of MN and MNP catalysts with the same Mn2O3:NiO ratio, MNP catalyst offers the higher denitrogenation activity than MN catalyst at 430{degree}C. 1 ref., 3 tabs.

  15. SYNTHESIS AND CHARACTERIZATION OF BLUE LIGHT-EMITTING POLY(ARYL ETHER)S CONTAINING PYRIMIDINE-INCORPORATED OLIGOFLUORENE PENDANTS WITH BIPOLAR FEATURE

    Institute of Scientific and Technical Information of China (English)

    Guo-xin Jiang; Chun-lei Bian; Jun-qiao Ding; Li-xiang Wang

    2013-01-01

    Novel blue light-emitting poly(aryl ether)s comprising of bipolar oligofluorene pendants as chromophores have been designed and synthesized,in which pyrimidine and arylamine moieties are utilized as the electron acceptor and electron donor,respectively.Through varying π bridge length from monofluorene to bifluorene and end-cappers from hydrogen to carbazole and diphenylamine,the emission color of the resulting polymers covers from deep blue to greenish blue,and their HOMO and LUMO levels can be modulated to facilitate charge injection to improve the device performance.Polymer lightemitting diodes (PLEDs) are fabricated with the device structure of ITO/poly(3,4-ethylenedioxythiophene):poly(styrene sulfonic acid) (PEDOT:PSS) (50 nm)/polymer (80 nm)/Ca (10 nm)/A1 (200 nm).Among these polymers,P2Cz5F-Py with bifluorene bridge and carbazole end-capper shows excellent trade-off between the efficiency and emission wavelength,having a peak luminous efficiency as high as 1.26 cd/A and Commission Internationale de L'Eclairage (CIE) coordinates of (0.17,0.17).

  16. Highly sensitive gas-phase explosive detection by luminescent microporous polymer networks

    Science.gov (United States)

    Räupke, André; Palma-Cando, Alex; Shkura, Eugen; Teckhausen, Peter; Polywka, Andreas; Görrn, Patrick; Scherf, Ullrich; Riedl, Thomas

    2016-07-01

    We propose microporous networks (MPNs) of a light emitting spiro-carbazole based polymer (PSpCz) as luminescent sensor for nitro-aromatic compounds. The MPNs used in this study can be easily synthesized on arbitrarily sized/shaped substrates by simple and low-cost electrochemical deposition. The resulting MPN afford an extremely high specific surface area of 1300 m2/g, more than three orders of magnitude higher than that of the thin films of the respective monomer. We demonstrate, that the luminescence of PSpCz is selectively quenched by nitro-aromatic analytes, e.g. nitrobenzene, 2,4-DNT and TNT. In striking contrast to a control sample based on non-porous spiro-carbazole, which does not show any luminescence quenching upon exposure to TNT at levels of 3 ppm and below, the microporous PSpCz shows a clearly detectable response even at TNT concentrations as low as 5 ppb, clearly demonstrating the advantage of microporous films as luminescent sensors for traces of explosive analytes. This level states the vapor pressure of TNT at room temperature.

  17. The distribution of dimethylcarbazoles in oils from the Pearl River Mouth Basin, South China Sea

    Institute of Scientific and Technical Information of China (English)

    ZHANG Chunming; ZHAO Hongjing; GAO Kunshun; YANG Shaokun

    2007-01-01

    C2-carbazole isomers have been investigated in crude oils from the Hui-Liu Structure Ridge (HLSR) in the Pearl River Mouth Basin (PRMB), South China Sea. The NH shielded isomer, as well as the NH partially shielded isomers, was detected in high abundance and the NH exposed isomers in lower abundance. A small-enrichment trend of 1,8-dimethylcarbazole (DMC) was observed in crude oils along the western part of HLSR (WPHLSR), which may indicate little effect of migration on the C2-carbazole distributions. Two strikingly different distribution patterns of NH partially shielded isomers were observed in the reservoirs along the WPHLSR: one with a preference of 1,3- and 1,6-DMCs and the other with a preference of 1,4- and 1,5-DMCs. All of the oils occurring in the Upper reservoirs have a preference of 1,3- and 1,6-DMCs, whereas those trapped in the Lower reservoirs show a preference of 1,4- and 1,5-DMCs, which may indicate there are two petroleum migration systems in the WPHLSR.

  18. 6H-Indolo[2,3-b]quinoxaline-based organic dyes containing different electron-rich conjugated linkers for highly efficient dye-sensitized solar cells

    Science.gov (United States)

    Qian, Xing; Gao, Huan-Huan; Zhu, Yi-Zhou; Lu, Lin; Zheng, Jian-Yu

    2015-04-01

    A new class of organic dyes based on 6H-indolo[2,3-b]quinoxaline are synthesized and applied as photosensitizers for dye-sensitized solar cells. Different electron-rich π-conjugated bridges such as oligothiophene, thienyl carbazole, and furyl carbazole are introduced to cooperate with 6H-indolo[2,3-b]quinoxaline and cyanoacrylic acid anchoring group to give the dyes JY01, JY02, and JY03, respectively. Their photophysical, electrochemical, and photovoltaic properties are further investigated. All three dyes show good performances as photosensitizers. In particular, DSSC based on JY01 shows the best photovoltaic performance with a short-circuit photocurrent density of 16.0 mA cm-2, an open-circuit photovoltage of 708 mV and a fill factor of 0.67, corresponding to an overall power conversion efficiency of 7.62% under AM 1.5 irradiation (100 mW cm-2).

  19. Synthesis of Soluble Host Materials for Highly Efficient Red Phosphorescent Organic Light-Emitting Diodes.

    Science.gov (United States)

    Suh, Min Chul; Park, So-Ra; Cho, Ye Ram; Shin, Dong Heon; Kang, Pil-Gu; Ahn, Dong A; Kim, Hyung Suk; Kim, Chul-Bae

    2016-07-20

    New soluble host materials with benzocarbazole and triphenyltriazine moieties, 11-[3-(4,6-diphenyl-[1,3,5]triazin-2-yl)-phenyl]-11H-benzo[a]carbazole and 11-[3'-(4,6-diphenyl-[1,3,5]triazin-2-yl)-biphenyl-4-yl]-11H-benzo[a]carbazole, were synthesized for highly efficient red phosphorescent organic light-emitting diodes (PHOLED). Hole-transporting benzocarbazole moiety and electron transporting triphenyltriazine moiety, which are severely twisted each other enhance the solubility of those materials in common organic solvent. The improved solubility from this molecular design could be due to a reduced π-π stacking interaction, which gives a very uniform film morphology after spin coating of those materials. As a result, we obtained highly efficient soluble PHOLEDs combined with an evaporated blue common layer structure. The resultant red PHOLED exhibited the maximum current efficiency as well as external quantum efficiency values up to 23.7 cd/A and 19.0%.

  20. Crystal structure, photoluminescence and electroluminescence of three bluish green light-emitting iridium complexes.

    Science.gov (United States)

    Xu, Qiu-Lei; Liang, Xiao; Jiang, Liang; Zhao, Yue; Zheng, You-Xuan

    2016-04-25

    Three bis-cyclometalated iridium complexes ((TPP)2Ir(acac), (TPP)2Ir(tpip) and (TPP)2Ir(pic)) with 2-(2-trifluoromethyl)pyrimidine-pyridine (TPP) as the main ligand, 2,4-pentanedionate (acac), tetraphenylimidodiphosphinate (tpip) and picolinate (pic) as the ancillary ligands, respectively, were prepared. Their photoluminescence and electrochemistry properties were investigated in detail, and (TPP)2Ir(tpip) was also examined by X-ray crystallography. These complexes show bluish green emission with a quantum efficiency of 11-14%. The organic light emitting diodes (OLEDs) with the structure of ITO/TAPC (1,1-bis[4-(di-p-tolylamino)phenyl]cyclohexane, 40 nm)/mCP (1,3-bis(9H-carbazol-9-yl)benzene, 10 nm)/Ir complex (8 wt%):PPO21 (3-(diphenylphosphoryl)-9-(4-(diphenylphosphoryl)phenyl)-9H-carbazole, 25 nm)/TmPyPB (1,3,5-tri(m-pyrid-3-yl-phenyl)benzene, 50 nm)/LiF (1 nm)/Al (100 nm) were fabricated to evaluate the potential application of these complexes. A (TPP)2Ir(tpip) emitter based device showed the best performance of a maximum current efficiency (ηc) value of 37.61 cd A(-1) and a maximum external quantum efficiency (EQE) of 13.7% with low efficiency roll-off. PMID:27030006

  1. External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.

    Science.gov (United States)

    Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O; Zhang, Guoqing

    2016-07-28

    Enhanced spin-orbit coupling through external heavy-atom effect (EHE) has been routinely used to induce room-temperature phosphorescence (RTP) for purely organic molecular materials. Therefore, understanding the nature of EHE, i.e., the specific orbital interactions between the external heavy atom and the luminophore, is of essential importance in molecular design. For organic systems, halogens (e.g., Cl, Br, and I) are the most commonly seen heavy atoms serving to realize the EHE-related RTP. In this report, we conduct an investigation on how heavy-atom perturbers and aromatic luminophores interact on the basis of data obtained from crystallography. We synthesized two classes of molecular systems including N-haloalkyl-substituted carbazoles and quinolinium halides, where the luminescent molecules are considered as "base" or "acid" relative to the heavy-atom perturbers, respectively. We propose that electron donation from a π molecular orbital (MO) of the carbazole to the σ* MO of the C-X bond (π/σ*) and n electron donation to a π* MO of the quinolinium moiety (n/π*) are responsible for the EHE (RTP) in the solid state, respectively.

  2. Synthesis and property of polymer nanospheres with Pd/P4VP shells via surface RAFT polymerization

    Directory of Open Access Journals (Sweden)

    2009-07-01

    Full Text Available A reversible addition-fragmentation chain transfer (RAFT agent with carbazole as Z-group was immobilized on the surfaces of the cross-linked poly (4-vinylbenzyl chloride-co-styrene (PVBCS nanospheres with a diameter of about 70 nm by the reaction of benzyl chloride groups in the PVBCS between carbazole and carbon sulfide. Then surface RAFT polymerization of 4-vinylpyridine (4VP was used to modify the nanospheres to produce a well-defined and covalently tethered P4VP shell. By surface activation in a PdCl2 solution and then reduction by hydrazine hydrate (N2H4•H2O, the P4VP composite shells were obtained containing densely palladium metal nanoparticles. The chemical composition of the nanosphere surfaces at various stages of the surface modification was characterized by X-ray photoelectron spectroscopy (XPS. Transmission electron microscopy (TEM was used to characterize the morphology of the hybrid nanospheres. The Pd/P4VP shell nanospheres were also applied to the catalytic reaction and proved to be efficient and reusable for the Heck reaction.

  3. Highly efficient exciplex organic light-emitting diodes using thermally activated delayed fluorescent emitters as donor and acceptor materials.

    Science.gov (United States)

    Jeon, Sang Kyu; Yook, Kyoung Soo; Lee, Jun Yeob

    2016-06-01

    Highly efficient exciplex type organic light-emitting diodes were developed using thermally activated delayed fluorescent emitters as donors and acceptors of an exciplex. Blue emitting bis[4-(9,9-dimethyl-9,10-dihydroacridine)phenyl]sulfone (DMAC-DPS) was a donor and 9,9'-(5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-phenylene)bis(9H-carbazole) (DDCzTrz) and 9,9',9″-(5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole) (TCzTrz) were acceptor materials. The exciplexes of DMAC-DPS:TCzTrz and DMAC-DPS:DDCzTrz resulted in high photoluminescence quantum yield and high quantum efficiency in the green exciplex organic light-emitting diodes. High quantum efficiencies of 13.4% and 15.3% were obtained in the DMAC-DPS:DDCzTrz and DMAC-DPS:TCzTrz exciplex devices.

  4. Synthesis and properties of acrylic copolymers for ocular implants

    Science.gov (United States)

    Reboul, Adam C.

    There is a need for flexible polymers with higher refractive index and extended UV absorbing properties for improved intraocular lenses (IOLs). This research was devoted to the synthesis of new acrylic copolymers for foldable IOLs and to studies concerning IOL polymer properties. New polymers were synthesized from phenylated acrylates copolymerized with N-vinyl carbazole derivatives using bulk free radical addition methods. The copolymers had low Tg values, high refractive index, and were flexible. The N-vinyl carbazole derivatives were characterized by NMR and copolymers were characterized by DSC, UV-Vis, and refractometry. New phenothiazine based UV absorbers with high extinction coefficients were also synthesized for incorporation into ocular materials. Patent disclosures on UV absorbers and high refractive index polymers were prepared. A so called "glistening" phenomenon that occurs in all foldable intraocular lenses currently in clinical use is poorly understood and was studied. Research on this microvoid forming behavior included studies and development of methods to inhibit glistening in low Tg acrylic based copolymers. Glistenings were characterized using SEM and optical microscopy. A novel technique for inhibiting glistening was found and a patent disclosure was prepared.

  5. Electroluminescence enhancement in blue phosphorescent organic light-emitting diodes based on different hosts

    Science.gov (United States)

    Zhang, Wei; Zhang, Fang-hui; Huang, Jin; Zhang, Mai-li; Ma, Ying

    2013-09-01

    Blue phosphorescent organic light-emitting diodes (OLEDs) are fabricated by utilizing the hole transport-type host material of 1,3-bis(carbazol-9-yl)benzene (MCP) combined with the electron transport-type host material of 1,3-bis (triphenylsilyl) benzene (UGH3) with the ratios of 1:0, 8:2 and 6:4, and doping with blue phosphorescent dopant of bis(4,6-difluorophenylpyridinato-N,C2)picolinatoiridium (FIrpic). The device with an optimum concentration proportion of MCP:UGH3 of 8:2 exhibits the maximum current efficiency of 19.18 cd/A at luminance of 35.71 cd/m2 with maintaining Commission Internationale de L'Eclairage (CIE) coordinates of (0.1481, 0.2695), which is enhanced by 35.7% compared with that of 1:0 with (0.1498, 0.2738). The improvements are attributed to the effective carrier injection and transport in emitting layer (EML) because of mixed host materials. In addition, electron and exciton are confined in the EML, and 4,4',4″-Tris(carbazol-9-yl)-triphenylamine (TCTA) and Di-[4-(N,N-ditolyl-amino)-phenyl]cyclohexane (TAPC) have the high lowest unoccupied molecular orbital (LUMO) energy level and triplet exiton energy.

  6. Hyperbranched red light-emitting phosphorescent polymers based on iridium complex as the core

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Ting; Yu, Lei; Yang, Yong; Li, Yanhu; Tao, Yun [Institute of Polymer Optoelectronic Materials and Devices, State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou 510640 (China); Hou, Qiong [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China); Ying, Lei, E-mail: msleiying@scut.edu.cn [Institute of Polymer Optoelectronic Materials and Devices, State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou 510640 (China); Yang, Wei; Wu, Hongbin; Cao, Yong [Institute of Polymer Optoelectronic Materials and Devices, State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou 510640 (China)

    2015-11-15

    A series of hyperbranched π-conjugated light-emitting polymers containing an iridium complex as the branched core unit and polyfluorene or poly(fluorene-alt-carbazole) as the branched segments were synthesized via a palladium catalyzed Suzuki polymerization. Apparent Förster energy transfer in the photoluminescent spectra as thin films was observed, while no discernible characteristic absorbance and photoluminescence of the iridium complex can be realized in dilute solutions. Copolymers based on poly(fluorene-alt-carbazole) as the branched segments demonstrated enhanced highest occupied molecular orbital energy levels relative to those based on polyfluorene. The electroluminescent spectra of these copolymers exclusively showed the characteristic emission of the iridium complex, with corresponding CIE coordinates of (0.67±0.01, 0.31). All devices exhibited relatively slow roll-off of efficiency, and the best device performance with the maximum luminous efficiency of 5.33 cd A{sup −1} was attained by using PFCzTiqIr3 as the emissive layer. These results indicated that the hyperbranched conjugated architectures can be a promising molecular design strategy for efficient electrophosphorescent light-emitting polymers. - Highlights: • Hyperbranched red light-emitting polymers are synthesized. • Red light-emitting iridium complex is used as the branched core unit. • Hyperbranched polymers based on PFCz exhibit higher luminescence. • The highest luminous efficiency of 5.33 cd A{sup −1} is attained.

  7. Highly efficient exciplex organic light-emitting diodes using thermally activated delayed fluorescent emitters as donor and acceptor materials

    Science.gov (United States)

    Jeon, Sang Kyu; Yook, Kyoung Soo; Lee, Jun Yeob

    2016-06-01

    Highly efficient exciplex type organic light-emitting diodes were developed using thermally activated delayed fluorescent emitters as donors and acceptors of an exciplex. Blue emitting bis[4-(9,9-dimethyl-9,10-dihydroacridine)phenyl]sulfone (DMAC-DPS) was a donor and 9,9‧-(5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-phenylene)bis(9H-carbazole) (DDCzTrz) and 9,9‧,9″-(5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole) (TCzTrz) were acceptor materials. The exciplexes of DMAC-DPS:TCzTrz and DMAC-DPS:DDCzTrz resulted in high photoluminescence quantum yield and high quantum efficiency in the green exciplex organic light-emitting diodes. High quantum efficiencies of 13.4% and 15.3% were obtained in the DMAC-DPS:DDCzTrz and DMAC-DPS:TCzTrz exciplex devices.

  8. Bi-anchoring organic sensitizers of type D-(π-A)2 comprising thiophene-2-acetonitrile as π-spacer and malonic acid as electron acceptor for dye sensitized solar cell applications

    Science.gov (United States)

    Reddy, Gachumale Saritha; Ramkumar, Sekar; Asiri, Abdullah M.; Anandan, Sambandam

    2015-06-01

    Two new bi-anchoring organic sensitizers of type D-(π-A)2 comprising the identical π-spacer (thiophene-2-acetonitrile) and electron acceptor (malonic acid) but different aryl amine as electron donors (diphenylamine and carbazole) were synthesized, characterized and fabricated metal free dye-sensitized solar cell devices. The intra molecular charge transfer property and electrochemical property of these dyes were investigated by molecular absorption, emission, cyclic voltammetric experiments and in addition, quantum chemical calculation studies were performed to provide sufficient driving force for the electron injection into the conduction band of TiO2 which leads to efficient charge collection. Among the fabricated devices, carbazole based device exhibits high current conversion efficiency (η = 4.7%) with a short circuit current density (JSC) 15.3 mA/cm2, an open circuit photo voltage (VOC) of 0.59 V and a fill factor of 0.44 under AM 1.5 illumination (85 mW/cm2) compared to diphenylamine based device.

  9. Bi-anchoring organic sensitizers of type D-(π-A)₂ comprising thiophene-2-acetonitrile as π-spacer and malonic acid as electron acceptor for dye sensitized solar cell applications.

    Science.gov (United States)

    Reddy, Gachumale Saritha; Ramkumar, Sekar; Asiri, Abdullah M; Anandan, Sambandam

    2015-06-15

    Two new bi-anchoring organic sensitizers of type D-(π-A)2 comprising the identical π-spacer (thiophene-2-acetonitrile) and electron acceptor (malonic acid) but different aryl amine as electron donors (diphenylamine and carbazole) were synthesized, characterized and fabricated metal free dye-sensitized solar cell devices. The intra molecular charge transfer property and electrochemical property of these dyes were investigated by molecular absorption, emission, cyclic voltammetric experiments and in addition, quantum chemical calculation studies were performed to provide sufficient driving force for the electron injection into the conduction band of TiO2 which leads to efficient charge collection. Among the fabricated devices, carbazole based device exhibits high current conversion efficiency (η=4.7%) with a short circuit current density (JSC) 15.3 mA/cm(2), an open circuit photo voltage (VOC) of 0.59 V and a fill factor of 0.44 under AM 1.5 illumination (85 mW/cm(2)) compared to diphenylamine based device. PMID:25801442

  10. Synthesis and characterization of one star-shaped polymer with charged iridium complex as luminescent core

    International Nuclear Information System (INIS)

    One new three-arm star-shaped polymer was synthesized by the core-first way using atom transfer radical polymerization (ATRP) method. This polymer contained charged iridium (Ir) complex as the luminescent core and 2-(carbazol-9-yl) ethyl methacrylate as the arm repeat unit. Its structure was confirmed by elemental analysis, nuclear magnet resonance (NMR) and photoluminescence (PL). The polymer has a relatively low polydispersity index (PDI) of 1.30 with excellent thermal stability. It also possesses significant redox behavior with a HOMO level of -5.21 eV, which will be of benefit to hole-injection. The PL spectrum of the polymer in film state has a stable peak at 565 nm, however, its PL in dichloromethane solution varied with its concentration. It demonstrated effective energy transfer from the arm unit to the core in the host-guest system. This indicated that when the length of the arm is properly designed, highly luminescent materials can be achieved with emission at 565 nm. - Highlights: → One three-arm star-shaped polymer with Ir complex core was synthesized by ATRP method. → Cationic Ir complex can serve as versatile templates for polymerization initiators. → The polymer shows a pure emission at 565 nm attributed to 3MLCT transition. → The effective energy transfer occurs from the carbazole arm to the Ir complex core.

  11. External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.

    Science.gov (United States)

    Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O; Zhang, Guoqing

    2016-07-28

    Enhanced spin-orbit coupling through external heavy-atom effect (EHE) has been routinely used to induce room-temperature phosphorescence (RTP) for purely organic molecular materials. Therefore, understanding the nature of EHE, i.e., the specific orbital interactions between the external heavy atom and the luminophore, is of essential importance in molecular design. For organic systems, halogens (e.g., Cl, Br, and I) are the most commonly seen heavy atoms serving to realize the EHE-related RTP. In this report, we conduct an investigation on how heavy-atom perturbers and aromatic luminophores interact on the basis of data obtained from crystallography. We synthesized two classes of molecular systems including N-haloalkyl-substituted carbazoles and quinolinium halides, where the luminescent molecules are considered as "base" or "acid" relative to the heavy-atom perturbers, respectively. We propose that electron donation from a π molecular orbital (MO) of the carbazole to the σ* MO of the C-X bond (π/σ*) and n electron donation to a π* MO of the quinolinium moiety (n/π*) are responsible for the EHE (RTP) in the solid state, respectively. PMID:27319778

  12. METABOLIC ENGINEERING TO DEVELOP A PATHWAY FOR THE SELECTIVE CLEAVAGE OF CARBON-NITROGEN BONDS

    Energy Technology Data Exchange (ETDEWEB)

    John J. Kilbane III

    2003-12-01

    The objective of the project is to develop biochemical pathways for the selective cleavage of C-N bonds in molecules found in petroleum. The initial phase of the project will focus on the isolation or development of an enzyme capable of cleaving the C-N bond in aromatic amides, specifically 2-aminobiphenyl. The objective of the second phase of the research will be to construct a biochemical pathway for the selective removal of nitrogen from carbazole by combining the carA genes from Sphingomonas sp. GTIN11 with the gene(s) encoding an appropriate amidase. The objective of the final phase of the project will be to develop derivative CN bond cleaving enzymes that have broader substrate ranges and to demonstrate the use of such strains to selectively remove nitrogen from petroleum. The project is on schedule and no major difficulties have been encountered. During the first year of the project (October, 2002-September, 2003) enrichment culture experiments have resulted in the isolation of promising cultures that may be capable of cleaving C-N bonds in aromatic amides, several amidase genes have been cloned and are currently undergoing directed evolution to obtain derivatives that can cleave C-N bonds in aromatic amides, and the carA genes from Sphingomonas sp. GTIN11, and Pseudomonas resinovorans CA10 were cloned in vectors capable of replicating in Escherichia coli. Future research will address expression of these genes in Rhodococcus erythropolis. Enrichment culture experiments and directed evolution experiments continue to be a main focus of research activity and further work is required to obtain an appropriate amidase that will selectively cleave C-N bonds in aromatic substrates. Once an appropriate amidase gene is obtained it must be combined with genes encoding an enzyme capable of converting carbazole to 2'aminobiphenyl-2,3-diol: specifically carA genes. The carA genes from two sources have been cloned and are ready for construction of C-N bond cleavage

  13. Novel Aryne Chemistry in Organic Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhijian [Iowa State Univ., Ames, IA (United States)

    2006-12-12

    Arynes are among the most intensively studied systems in chemistry. However, many aspects of the chemistry of these reactive intermediates are not well understood yet and their use as reagents in synthetic organic chemistry has been somewhat limited, due to the harsh conditions needed to generate arynes and the often uncontrolled reactivity exhibited by these species. Recently, o-silylaryl triflates, which can generate the corresponding arynes under very mild reaction conditions, have been found very useful in organic synthesis. This thesis describes several novel and useful methodologies by employing arynes, which generate from o-silylaryl triflates, in organic synthesis. An efficient, reliable method for the N-arylation of amines, sulfonamides and carbamates, and the O-arylation of phenols and carboxylic acids is described in Chapter 1. Amines, sulfonamides, phenols, and carboxylic acids are good nucleophiles, which can react with arynes generated from a-silylaryl triflates to afford the corresponding N- and O-arylated products in very high yields. The regioselectivity of unsymmetrical arynes has also been studied. A lot of useful, functional groups can tolerate our reaction conditions. Carbazoles and dibenzofurans are important heteroaromatic compounds, which have a variety of biological activities. A variety of substituted carbazoles and dibenzofwans are readily prepared in good to excellent yields starting with the corresponding o-iodoanilines or o-iodophenols and o-silylaryl triflates by a treatment with CsF, followed by a Pd-catalyzed cyclization, which overall provides a one-pot, two-step process. By using this methodology, the carbazole alkaloid mukonine has been concisely synthesized in a very good yield. Insertion of an aryne into a σ-bond between a nucleophile and an electrophile (Nu-E) should potentially be a very beneficial process from the standpoint of organic synthesis. A variety of substituted ketones and sulfoxides have been synthesized in good

  14. Multifunctional conjugated polymers with main-chain donors and side-chain acceptors for dye sensitized solar cells (DSSCs) and organic photovoltaic cells (OPVs).

    Science.gov (United States)

    Chang, Dong Wook; Ko, Seo-Jin; Kim, Jin Young; Park, Su-Moon; Lee, Hyo Joong; Dai, Liming; Baek, Jong-Beom

    2011-11-15

    A novel multifunctional conjugated polymer (RCP-1) composed of an electron-donating backbone (carbazole) and an electron-accepting side chain (cyanoacetic acid) connected through conjugated vinylene and terthiophene has been synthesized and tested as a photosensitizer in two major molecule-based solar cells, namely dye sensitized solar cells (DSSCs) and organic photovoltaic cells (OPVs). Promising initial results on overall power conversion efficiencies of 4.11% and 1.04% are obtained from the basic structure of DSSCs and OPVs based on RCP-1, respectively. The well-defined donor (D)-acceptor (A) structure of RCP-1 has made it possible, for the first time, to reach over 4% of power conversion efficiency in DSSCs with an organic polymer sensitizer and good operation stability.

  15. Modification of silicone sealant to improve gamma radiation resistance, by addition of protective agents

    Science.gov (United States)

    González-Pérez, Giovanni; Burillo, Guillermina

    2013-09-01

    Poly (dimethylsiloxane) (PDMS) sealant (SS) was modified with the addition of different protective compounds to conserve its physical-chemical properties during gamma irradiation. 2-Vinyl naphthalene (2-VN), bisphenol-A (BPA) and poly (vinyl carbazole) (PVK) were used to evaluate radiation protection through the crosslinking effect of radiation. The samples were irradiated with doses from 100 kGy to 500 kGy at room temperature in air, with a 60Co gamma source, and the changes in molecular weight, thermal behavior, elastic properties and infrared spectra (FTIR-ATR) absorbance analysis were determined. The molecular weight of unmodified silicone sealant increases with the absorbed dose because of crosslinking as predominant effect. However, the crosslinking effect was inhibited with the addition of protective agent due to the aromatic compounds present. Modified silicone sealant films present better radiation resistance than unmodified system.

  16. Cytotoxic Constituents from the Stems of Clausena lansium (Lour. Skeels

    Directory of Open Access Journals (Sweden)

    Shu Shan Du

    2013-09-01

    Full Text Available Six compounds were isolated from the stems of Clausena lansium (Lour. Skeels by repeated sillica gel column chromatography. Their chemical structures were elucidated on the basic of physicochemical and spectroscopic data. Among them, 8-geranyloxypsolaren (3 and 2-methoxy-1-(3-methyl-buten-1-yl-9H-carbazole-3-carbaldehyde (6 were isolated for the first time from this plant. These compounds were screened for cytotoxicity in human cervical cancer (Hela, leukemia (K562, lung cancer (A549, non-small lung carcinoma (H1299 and liver cancer (SMMC-7721. Within the series of cytotoxic tests, compounds 4–6 displayed potent cytotoxic activity against H1299 and SMMC-7721, with the IC50 values of 6.19 to 26.84 μg/mL.

  17. Nucleation of Gold in the Electric Field on the Surface of Template

    Directory of Open Access Journals (Sweden)

    M.Yu. Barabash

    2014-04-01

    Full Text Available The comparative study of gold nanoclusters phase formation processes in the matrix of poly-N-vinil-carbazole ( PVCa at co-condensation from the gas phase in local electric field near the surface of the template and on the surface of neutral substrates is investigated. TEM studies have directly observed the golden critical nuclei in the PVCa matrix and determine their size. Experimentally proved that the size of the gold critical nuclei is 1.9 nm, whereas in the non-uniform electric field of the template is reduced it to 1.2 nm. Modelling the influence of polarization component on Au nucleation within the thermodynamic approach to electrically charged and neutral gold nanoclusters showed the possibility of the existence of the measured changes in the critical nucleus size in the field 108-1010 V/m.

  18. Modeling and experimental study of photoinduced anisotropy in hybrid solgel films

    Science.gov (United States)

    Raschellà, Raffaella; Marino, Iari-Gabriel; Razzetti, Carlo; Bersani, Danilo; Lottici, Pier P.

    2007-03-01

    The mechanism of photoinduced anisotropy through photoisomerization has been studied by measuring photoinduced dichroism and birefringence in solgel silica-based glasses containing an azo dye (Disperse Red 1) and a plasticizer (carbazole). The equations commonly adopted to describe the molecular orientation (Sekkat's theory) have been solved numerically and analytically within two different approximations. The results have been applied to photoinduced birefringence measured with expanded beams, and the dominant mechanisms driving the azo-dye molecular orientation in the investigated materials during both illumination and relaxation have been inferred. The experiments of photoinduced dichroism, performed with nonexpanded beams, suggest that the distribution of times describing the kinetics of the anisotropy formation, usually attributed to inhomogeneities in the chromophore environment, may be ascribed instead to the nonuniform profile of the beams.

  19. A novel and facile synthesis of 3-(2-benzofuroyl- and 3,6-bis(2-benzofuroylcarbazole derivatives

    Directory of Open Access Journals (Sweden)

    Wentao Gao

    2011-11-01

    Full Text Available A facile synthesis of hitherto unreported 3-(2-benzofuroylcarbazoles 3a–k, 3,6-bis(2-benzofuroylcarbazoles 5a–k, and naphtho[2,1-b]furoylcarbazoles 3l and 5l is described. The synthesis mainly relies on the ultrasound-assisted Rap–Stoermer reaction of 3-chloroacetyl- (1 or 3,6-dichloroacetyl-9-ethyl-9H-carbazole (4 with various salicylaldehydes 2a–k as well as 2-hydroxy-1-naphthaldehyde (2l in CH3CN with the presence of PEG-400 as catalyst. The procedure offers easy access to benzofuroylcarbazoles in short reaction times and the products are obtained in moderate to good yields.

  20. Porous Organic Polymer Films with Tunable Work Functions and Selective Hole and Electron Flows for Energy Conversions.

    Science.gov (United States)

    Gu, Cheng; Huang, Ning; Chen, Youchun; Zhang, Huanhuan; Zhang, Shitong; Li, Fenghong; Ma, Yuguang; Jiang, Donglin

    2016-02-24

    Organic optoelectronics are promising technologies for energy conversion. However, the electrode interlayer, a key material between active layers and conducting electrodes that controls the transport of charge carriers in and out of devices, is still a chemical challenge. Herein, we report a class of porous organic polymers with tunable work function as hole- and electron-selective electrode interlayers. The network with organoborane and carbazole units exhibits extremely low work-function-selective electron flow; while upon ionic ligation and electro-oxidation, the network significantly increases the work function and turns into hole conduction. We demonstrate their outstanding functions as anode and cathode interlayers in energy-converting solar cells and light-emitting diodes. PMID:26822287

  1. 中间层对白色全磷光有机电致发光器件性能的影响%Effect of Interlayer on Phosphorescent White Organic Light-emitting Diodes

    Institute of Scientific and Technical Information of China (English)

    朱映光; 梁春军; 刘姝; 刘淑洁; 何志群

    2014-01-01

    Phosphorescent white organic light-emitting diodes with double light-emitting layers were fabricated based on phosphorescent blue emittor bis[3,5-difluoro-2-(2-pridyl) phenyl-(2-earboxy-pyribyl)iridumⅢ] (FIrpic) and red emittor bis(2-methyldibenzo[f,h]quinoxaline)(acetylaceto-nate) iridium(Ⅲ)(Ir(MDQ)2acac). FIrpic was doped in an ultra wide band-gap host 1,3-bis(tri-phenylsilyl)benzene (UGH3), and Ir(MDQ)2acac was doped in the host 4,4’,4"-tris(carbazol-9-yl)triphenylamine(TCTA). A hole transporting wide-band-gap material 1,3-bis(carbazol-9-yl)ben-zene (mCP) was introduced between the emitting layers. The device structure was ITO/NPB(40 nm)/TCTA:Ir(MDQ)2acac 7%(10 nm)/mCP(x nm)/UGH3: Firpic 8%(30 nm)/BPhen(30 nm)/LiF(0. 8 nm)/Al(200 nm). The results show that the interlayer plays an important role of balancing charge carriers, and blocking energy transfer between the emitting layers. With an appro-priate thickness of the interlayer, the device performances can be significantly enhanced. Compared with the device without interlayer, the maximum current efficiency can be enhanced from 3. 4 cd/A to 13. 2 cd/A.%制备了基于蓝色磷光材料bis[3,5-difluoro-2-(2-pridyl)phenyl-(2-earboxypyribyl)iridum芋](FIrpic)、红色磷光材料bis(2-methyldibenzo[f,h]quinoxaline)(acetylacetonate)iridium (芋)(Ir(MDQ)2acac)的双波段白光有机电致发光器件。蓝色磷光材料 FIrpic被掺杂在一种宽带隙的主体材料1,3-bis(triphenylsilyl)benzene (UGH3)之中,红色磷光材料Ir(MDQ)2acac被掺杂在主体材料4,4忆,4义-tris(carbazol-9-yl)triphenylamine(TC-TA)之中,并在两发光层之间加入一种宽带隙的空穴传输材料1,3-bis( carbazol-9-yl) benzene( mCP)作为中间层。制备的器件结构为ITO/NPB(40 nm)/TCTA.Ir(MDQ)2acac 7%(10 nm)/mCP(x nm)/UGH3.Firpic 8%(30 nm)/BPhen (30 nm)/LIF(0.8 nm)/AL(200 nm)。实验结果表明,中间层的加入促进了发光层中电子和空穴的平衡并抑制了发光层之间的能量转移。加入

  2. Synthesis and Characterization of Quinoxaline-Based Low-Bandgap Copolymers for Bulk Heterojunction Solar Cells

    Science.gov (United States)

    Lee, Yoonkyoo; Jo, Won Ho

    2011-03-01

    A series of low-bandgap alternating copolymers consisting of quinoxaline derivatives and electron-donating carbazole or fluorene were synthesized via the Suzuki coupling reaction. For the purpose to improve the molecular packing of polymer chains and to enhance the charge carrier mobility in the packing direction, a new quinoxaline derivative, 5,8-dithien-2-yl-dibenzophenazine which has perfectly planar polycyclic structure, was synthesized and introduced as a new building block for alternating copolymers instead of frequently-used 5,8-dithien-2-yl-2,3-diphenylquinoxaline. The use of planar quinoxaline derivative exhibited better optical, electrochemical, and structural properties of the resulting copolymers as compared to those of polymers with less planar quinoxaline derivatives. Charge transport and photovoltaic properties of these two classes of copolymers are compared and discussed.

  3. Development and characterization of PCDTBT:CdSe QDs hybrid solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Dixit, Shiv Kumar, E-mail: shivkumardixit.7@gmail.com; Bhatnagar, Chhavi, E-mail: shivkumardixit.7@gmail.com; Kumari, Anita, E-mail: shivkumardixit.7@gmail.com; Madhwal, Devinder, E-mail: shivkumardixit.7@gmail.com; Bhatnagar, P. K., E-mail: shivkumardixit.7@gmail.com; Mathur, P. C., E-mail: shivkumardixit.7@gmail.com [Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi, 110021 (India)

    2014-10-15

    Solar cell consisting of low band gap polymer poly[N-900-hepta-decanyl-2,7-carbazole-alt-5,5-(40,70-di-2-thienyl-20,10, 30-benzothiadiazole)] (PCDTBT) as donor and cadmium selenide/zinc sulphide (CdSe/ZnS) core shell quantum dots (QDs) as an acceptor has been developed. The absorption measurements show that the absorption coefficient increases in bulk heterojunction (BHJ) structure covering broad absorption spectrum (200nm–700nm). Also, the photoluminescence (PL) of the PCDTBT:QDs film is found to decrease by an order of magnitude showing a significant transfer of electrons to the QDs. With this approach and under broadband white light with an irradiance of 8.19 mW/cm{sup 2}, we have been able to achieve a power conversion efficiency (PCE) of 3.1 % with fill factor 0.42 for our typical solar cell.

  4. CO{sub 2} removal potential of carbons prepared by co-pyrolysis of sugar and nitrogen containing compounds

    Energy Technology Data Exchange (ETDEWEB)

    Arenillas, A.; Drage, T.C.; Smith, K.; Snape, C.E. [University of Nottingham, Fuel Science Group, School of Chemical, Environmental and Mining Engineering, University Park, Nottingham NG7 2RD (United Kingdom)

    2005-08-15

    The nitrogen enrichment of active carbons is reported to be effective in enhancing the specific adsorbate-adsorbent interactions for CO{sub 2}. In this work, nitrogen-enriched carbons were prepared by co-pyrolysis of sugar and a series of nitrogen compounds with different nitrogen functionalities. The results show that although the amount of nitrogen incorporated to the final adsorbent is important, the N-functionality seems to be more relevant for increasing CO{sub 2} uptake. Thus, the adsorbent obtained from urea co-pyrolysis presents the highest nitrogen content but the lowest CO{sub 2} adsorption capacity. However, the adsorbent obtained from carbazole co-pyrolysis, despite the lower amount of N incorporated, shows high CO{sub 2} uptake, up to 9wt.%, probably because the presence of more basic functionalities as determined by XPS analysis.

  5. Donor–acceptor-structured 1,4-diazatriphenylene derivatives exhibiting thermally activated delayed fluorescence: design and synthesis, photophysical properties and OLED characteristics

    International Nuclear Information System (INIS)

    A new series of luminescent 1,4-diazatriphenylene (ATP) derivatives with various peripheral donor units, including phenoxazine, 9,9-dimethylacridane and 3-(diphenylamino)carbazole, is synthesized and characterized as thermally activated delayed fluorescence (TADF) emitters. The influence of the donor substituents on the electronic and photophysical properties of the materials is investigated by theoretical calculations and experimental spectroscopic measurements. These ATP-based molecules with donor–acceptor–donor (D–A–D) structures can reduce the singlet–triplet energy gap (0.04–0.26 eV) upon chemical modification of the ATP core, and thus exhibit obvious TADF characteristics in solution and doped thin films. As a demonstration of the potential of these materials, organic light-emitting diodes containing the D–A–D-structured ATP derivatives as emitters are fabricated and tested. External electroluminescence quantum efficiencies above 12% and 8% for green- and sky-blue-emitting devices, respectively, are achieved. (papers)

  6. Charge Transport in Dendrimer Melt using Multiscale Modeling Simulation

    CERN Document Server

    Bag, Saientan; Maiti, Prabal K

    2016-01-01

    In this paper we present a theoretical calculation of the charge carrier mobility in two different dendrimeric melt system (Dendritic phenyl azomethine with Triphenyl amine core and Dendritic Carbazole with Cyclic Phenylazomethine as core), which have recently been reported1 to increase the efficiency of Dye-Sensitized solar cells (DSSCs) by interface modification. Our mobility calculation, which is a combination of molecular dynamics simulation, first principles calculation and kinetic Monte Carlo simulation, leads to mobilities that are in quantitative agreement with available experimental data. We also show how the mobility depends on the dendrimer generation. Furthermore, we examine the variation of mobility with external electric field and external reorganization energy. Physical mechanisms behind observed electric field and generation dependencies of mobility are also explored.

  7. Simultaneous SHG and 2PEF imaging using a new type of selective markers

    Science.gov (United States)

    de Meulenaere, E.; van Cleuvenbergen, S.; Psilodimitrakopoulos, S.; Vanderleyden, J.; Loza-Alvarez, P.; Clays, K.

    2011-06-01

    In general, second-harmonic generation (SHG) microscopy is used to image highly ordered structures in biological samples, like starch, collagen, myosin and tubulin. In an effort to expand the possible targets for SHG microscopy, a number of new fluorescent probes with high performance in SHG imaging were designed and synthesized. The design is based on an electron-rich carbazole template, functionalized with pyridinium-like acceptors, resulting in cyanine-like dyes. In this paper, we report on the linear and nonlinear optical characterization of one of these dyes and its applicability in microscopy using two-photon excited fluorescence (2PEF) and SHG to visualize the specificity of the dyes in HeLa cells.

  8. Photoluminescent studies in ions rare earth compounds coordinated by carbazolyc derivative; Estudos fotoluminescentes em compostos de ions terras raras coordenados por um derivado carbazolico

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Renata Figueredo; Neri, Claudio Roberto; Sousa Filho, Paulo Cesar de; Serra, Osvaldo Antonio, E-mail: osaserra@usp.b [Universidade de Sao Paulo (USP/RP), Ribeirao Preto, SP (Brazil). Fac. de Filosofia, Ciencias e Letras. Dept. de Quimica; Oliveira, Kleber Thiago de [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil)

    2010-07-01

    [RE(czb){sub 3}(H{sub 2}O){sub 2}] complexes (where RE = Eu{sup 3+}, Tb{sup 3+}, Gd{sup 3+}; and czb = 4-(9H-carbazole-9-yl)benzoate) have been synthesized and characterized. The Gd{sup 3+} complex was used to determine the triplet state energy of the czb ligand. Photoluminescence measurements of the complexes have been carried out under UV excitation. The Tb{sup 3+} complex exhibited a strong green luminescence indicating an efficient antenna effect, whereas the Eu{sup 3+} complex showed low red luminescence and the Gd{sup 3+} complex a blue-green luminescence from the ligand. The luminescence lifetimes and quantum yields have also been measured for the evaluation of the spectroscopic behavior of the complexes. (author)

  9. Surface electronic structure and molecular orientation of poly(9-vinylcarbazole) thin film: ARUPS and NEXAFS

    CERN Document Server

    Okudaira, K K; Hasegawa, S; Ishii, H; Azuma, Y; Imamura, M; Shimada, H; Seki, K; Ueno, N

    2001-01-01

    The molecular orientation at the surfaces of poly(9-vinylcarbazole) (PvCz) thin films was studied by angle-resolved ultraviolet photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The observed take-off angle (theta) dependence of photoelectron intensities from top pi band peaks clearly at larger theta than the calculated one for the three-dimensional isotropic random orientation model. The results indicate that there are more pendant groups with large tilt angles than the three-dimensional isotropic random orientation model, which is in good agreement with the result obtained from NEXAFS spectroscopy. The surface electronic states of PvCz may be rather dominated by sigma(C-H) states at the pendant carbazole group than pi states

  10. Graphene oxide hole transport layers for large area, high efficiency organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Chris T. G.; Rhodes, Rhys W.; Beliatis, Michail J.; Imalka Jayawardena, K. D. G.; Rozanski, Lynn J.; Mills, Christopher A.; Silva, S. Ravi P., E-mail: s.silva@surrey.ac.uk [Advanced Technology Institute, University of Surrey, Guildford GU2 7XH (United Kingdom)

    2014-08-18

    Graphene oxide (GO) is becoming increasingly popular for organic electronic applications. We present large active area (0.64 cm{sup 2}), solution processable, poly[[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1, 3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl]:[6,6]-Phenyl C{sub 71} butyric acid methyl ester (PCDTBT:PC{sub 70}BM) organic photovoltaic (OPV) solar cells, incorporating GO hole transport layers (HTL). The power conversion efficiency (PCE) of ∼5% is the highest reported for OPV using this architecture. A comparative study of solution-processable devices has been undertaken to benchmark GO OPV performance with poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS) HTL devices, confirming the viability of GO devices, with comparable PCEs, suitable as high chemical and thermal stability replacements for PEDOT:PSS in OPV.

  11. Thermally stable and efficient polymer solar cells based on a novel donor-acceptor copolymer

    Science.gov (United States)

    Synooka, O.; Eberhardt, K.-R.; Balko, J.; Thurn-Albrecht, T.; Gobsch, G.; Mitchell, W.; Berny, S.; Carrasco-Orozco, M.; Hoppe, H.

    2016-06-01

    We report high photovoltaic performance of a novel donor-acceptor (D-A) conjugated polymer poly[2,6[4,8-bis(2-ethyl-hexyl)benzo[1,2-b4,5-b‧]dithiophene-co-2,5-thiophene-co-4,7[5,6-bis-octyloxy-benzo[1,2,5]thiadiazole]-co-2,5-thiophene] (PBDTTBTZT) in bulk heterojunctions with [6,6]-phenyl-C71-butyric acid methyl ester (PC70BM). A power conversion efficiency (PCE) of more than 7% is obtained for optimized charge-extracting electrodes. Upon application of thermal stress via annealing, a superior thermal stability is demonstrated as compared to poly[N-9″-hepta-decanyl-2,7-carbazole-alt-5,5-(4‧,7‧-di-2-thienyl-2‧,1‧,3‧-benzothiadiazole)] (PCDTBT).

  12. Lignin peroxidase oxidation of aromatic compounds in systems containing organic solvents.

    Science.gov (United States)

    Vazquez-Duhalt, R; Westlake, D W; Fedorak, P M

    1994-02-01

    Lignin peroxidase from Phanerochaete chrysosporium was used to study the oxidation of aromatic compounds, including polycyclic aromatic hydrocarbons and heterocyclic compounds, that are models of moieties of asphaltene molecules. The oxidations were done in systems containing water-miscible organic solvents, including methanol, isopropanol, N, N-dimethylformamide, acetonitrile, and tetrahydrofuran. Of the 20 aromatic compounds tested, 9 were oxidized by lignin peroxidase in the presence of hydrogen peroxide. These included anthracene, 1-, 2-, and 9-methylanthracenes, acenaphthene, fluoranthene, pyrene, carbazole, and dibenzothiophene. Of the compounds studied, lignin peroxidase was able to oxidize those with ionization potentials of stability characteristics of lignin peroxidase were determined by using pyrene as the substrate in systems containing different amounts of organic solvent. Benzyl alkylation of lignin peroxidase improved its activity in a system containing water-miscible organic solvent but did not increase its resistance to inactivation at high solvent concentrations. PMID:16349176

  13. A novel femtosecond-laser formation of CdS nanocrystallites in zirconia matrices

    Energy Technology Data Exchange (ETDEWEB)

    Raulin, Katarzyna, E-mail: katarzyna.raulin@univ-lille1.fr; Cristini-Robbe, Odile [Universite des Sciences et Technologies de Lille, Laboratoire de Spectrochimie Infrarouge et Raman (CNRS, UMR 8516), Bat. C-5, Centre d' Etudes et de Recherches Lasers et Applications (CERLA-FR CNRS 2416) (France); Baldeck, Patrice; Stephan, Olivier [Universite Joseph-Fourier-CNRS, Laboratoire de Spectrometrie Physique (CNRS, UMR 5588) (France); Kinowski, Christophe; Turrell, Sylvia [Universite des Sciences et Technologies de Lille, Laboratoire de Spectrochimie Infrarouge et Raman (CNRS, UMR 8516), Bat. C-5, Centre d' Etudes et de Recherches Lasers et Applications (CERLA-FR CNRS 2416) (France); Capoen, Bruno; Bouazaoui, Mohamed [Universite des Sciences et Technologies de Lille, Laboratoire de Physique des Lasers, Atomes et Molecules (CNRS, UMR 8523), Bat. P-5, Centre d' Etudes et de Recherches Lasers et Applications (CERLA-FR CNRS 2416) (France)

    2010-05-15

    A novel method for direct laser writing of two-dimensional cadmium sulfide (CdS) semiconductor nanoparticle microstructures is reported. A two photon or a higher-order multiphoton absorption process, originating from femtosecond laser pulses, was used to decompose CdS precursors dispersed in a zirconia thin film previously dip-coated on a glass substrate. The kinetics of nanoparticle formation as a function of laser power were monitored in situ by photoluminescence spectroscopy. Raman spectroscopy was also performed to characterize the structural changes of the zirconia matrix under irradiation and to verify the formation of CdS nanoparticles. Results show that CdS nanoparticles were formed by two-photon absorption (TPA) with or without the help of an additional carbazole photoinitiator.

  14. Synthesis, Characterization, Absorbance, Fluorescence and Non Linear Optical Properties of Some Donor Acceptor Chromophores

    Energy Technology Data Exchange (ETDEWEB)

    Asiri, Abdullah M.; Khan, Salman A.; Alamry, Kalid A. [King Abdulaziz University, Jeddah (Saudi Arabia); Al-Amoudi, Muhammed S. [Taif University, Taif (Saudi Arabia)

    2012-06-15

    Three carbazole chromophores featuring dicyano, cyano, ethyl acetate and dimethyl acetate groups as an acceptor moiety with a {pi}-conjugated spacer and N-methyl dibenzo[b]pyrole as donor were synthesized by Knovenagel condensation and characterized by IR, {sup 1}HNMR, {sup 13}CNMR, UV-vis, fluorescence spectroscopy, electrochemistry and theoretical B3LYP/6-311G* level whilst NLO properties and spectroscopic quantities were calculated. Calculations showed remarkable trend with HOMO located on the donor moiety and LUMO on the acceptors dicyano methylene, cyano, ethyl acetate methylene and dimethyl acetate methylene. In agreement with the calculations, solvatochromic, behavior intramolecular charge transfer band was observed in the visible region

  15. Remarkable improvement in electroluminescence benefited from appropriate electron injection and transporting in ultraviolet organic light-emitting diode

    Science.gov (United States)

    You, Fengjiao; Mo, Bingjie; Liu, Liming; Wang, Honghang; Bin Wei; Xu, Jiwen; Zhang, Xiaowen

    2016-08-01

    Suitable thickness of LiF and 4,7-diphenyl-1, 10-phenanthroline with slightly weakened electron injection and transporting is proposed to match the intractable hole injection capacity in ultraviolet organic light-emitting diode (UV OLED). By using this strategy, the device performance is remarkably improved. With 4,4‧-bis(carbazol-9-yl)biphenyl (CBP) and 3-(4-biphenyl)-4-phenyl-5-tert-butylphenyl-1,2,4-triazole (TAZ) as emitters, the UV OLED shows maximum radiance of 5.8 mW/cm2 and external quantum efficiency of 2.1% with emission peak of ~380 nm predominantly from TAZ and noticeable shoulder emission of ~410 nm from CBP. The retarded electron injection and transporting contribute to optimizing hole-electron recombination zone and balance within the emitting layers, which accounts for the improved electroluminescent intensity. The detailed mechanism is further clarified with impedance spectroscopy.

  16. Surface modification of low cost carbons for their application in the environmental protection

    Energy Technology Data Exchange (ETDEWEB)

    Arenillas, A. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)]. E-mail: aapuente@incar.csis.es; Rubiera, F. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain); Parra, J.B. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain); Ania, C.O. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain); Pis, J.J. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

    2005-10-31

    In this work, the CO{sub 2} capture capacity of a series of activated carbons derived from recycled polyethylene terephtalate (PET) was tested, facing two problems at the same time: minimising plastic waste and developing an adsorbent for CO{sub 2} capture. The PET raw material, obtained from post-consumer soft-drink bottles, was chemically activated with KOH. In addition, a series of nitrogen-enriched activated carbons was obtained by mixing the raw material with different nitrogen compounds (i.e., acridine, carbazole and urea). The influence of temperature on the CO{sub 2} capture capacity of the adsorbents was evaluated in a thermogravimetric system. The CO{sub 2} uptake was also related to the chemical and textural characteristics of the samples.

  17. Surface modification of low cost carbons for their application in the environmental protection

    Science.gov (United States)

    Arenillas, A.; Rubiera, F.; Parra, J. B.; Ania, C. O.; Pis, J. J.

    2005-10-01

    In this work, the CO 2 capture capacity of a series of activated carbons derived from recycled polyethylene terephtalate (PET) was tested, facing two problems at the same time: minimising plastic waste and developing an adsorbent for CO 2 capture. The PET raw material, obtained from post-consumer soft-drink bottles, was chemically activated with KOH. In addition, a series of nitrogen-enriched activated carbons was obtained by mixing the raw material with different nitrogen compounds (i.e., acridine, carbazole and urea). The influence of temperature on the CO 2 capture capacity of the adsorbents was evaluated in a thermogravimetric system. The CO 2 uptake was also related to the chemical and textural characteristics of the samples.

  18. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  19. Efficient light-emitting devices based on platinum-complexes-anchored polyhedral oligomeric silsesquioxane materials

    KAUST Repository

    Yang, Xiaohui

    2010-08-24

    The synthesis, photophysical, and electrochemical characterization of macromolecules, consisting of an emissive platinum complex and carbazole moieties covalently attached to a polyhedral oligomeric silsesquioxane (POSS) core, is reported. Organic light-emitting devices based on these POSS materials exhibit a peak external quantum efficiency of ca. 8%, which is significantly higher than that of the analogous devices with a physical blend of the platinum complexes and a polymer matrix, and they represent noticeable improvement in the device efficiency of solution-processable phosphorescent excimer devices. Furthermore, the ratio of monomer and excimer/aggregate electroluminescent emission intensity, as well as the device efficiency, increases as the platinum complex moiety presence on the POSS macromolecules decreases. © 2010 American Chemical Society.

  20. Multifunctional Composites Obtained by Incorporating Nanocrystals into Decorated PVK Polymers

    Directory of Open Access Journals (Sweden)

    Haizhu Sun

    2007-01-01

    Full Text Available Poly(vinylcarbazole (PVK was decorated with surfactant group to achieve amphiphilic polymer with luminescent property. The composition and properties of the polymers were systematically investigated using FTIR, EA, TGA, UV-Vis, and PL characterizations. Different CdTe nanocrystals (NCs prepared in aqueous medium were directly transferred to organic phase using the PVK-based polymers. The quantum yield of NCs in the composites had been improved by 50% compared with their parent aqueous solution due to the short distance from carbazole moieties to NCs, which facilitated the Förster resonant energy transfer (FRET between them. Moreover, efficient electron transfer at the interface of NCs and polymers had been confirmed which also indicated the application in photovoltaic cell for such composites.

  1. Synthesis, characterization and hydrotreating performance of supported tungsten phosphide catalysts

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Supported tungsten phosphide catalysts were prepared by temperature-programmed reduction of their precursors (supported phospho-tungstate catalysts) in H2 and characterized by X-ray diffraction (XRD),BET,temperature-programmed desorption of ammonia (NH3-TPD) and X-ray photoelectron spectroscopy (XPS).The reduction-phosphiding processes of the precursors were investigated by thermogravimetry and differential thermal analysis (TG-DTA) and the suitable phosphiding temperatures were defined.The hydrodesulfurization (HDS) and hydrodenitrogenation (HDN) activities of the catalysts were tested by using thiophene,pyridine,dibenzothiophene,carbazole and diesel oil as the feed-stock.The TiO2,γ-Al2O3 supports and the Ni,Co promoters could remarkably increase and stabilize active W species on the catalyst surface.A suitable amount of Ni (3%-5%),Co (5%-7%) and V (1%-3%) could increase dispersivity of the W species and the BET surface area of the WP/γ-Al2O3 catalyst.The WP/γ-Al2O3 catalyst possesses much higher thiophene HDS and carbazole HDN activities and the WP/TiO2 catalyst has much higher dibenzothiophene (DBT) HDS and pyridine HDN activities.The Ni,Co and V can obviously promote the HDS activity and inhibit the HDN activity of the WP/γ-Al2O3 catalyst.The G-Ni5 catalyst possesses a much higher diesel oil HDS activity than the sulphided industrial NiW/γ-Al2O3 catalyst.In general,a support or promoter in the WP/γ-Al2O3 catalyst which can increase the amount and dispersivity of the active W species can promote its HDS and HDN activities.

  2. 基于液体基质材料的有机电致发光器件的制备及性能分析%Fabrication and Analysis of the Organic Light-Emitting Diode with Liquid Host Material

    Institute of Scientific and Technical Information of China (English)

    徐登辉

    2011-01-01

    利用液体基质材料9-(2-ethylhexyl)carbazole(EHCz)掺杂有机染料分子5,6,11,12-tetraphenyl-nathacene(rubrene)制备了具有液体发光层的有机电致发光器件,其结构为:ITO/PEDOT:PSS/EH Cz:rubrene/Cs2CO3/ITO,PEDOT:PSS和Cs2CO3分别作为空穴注入和电子注入材料.该器件在正向偏压时,得到了液体薄层EHCz:rubrene的电致发光,通过分析器件的发光光谱,可以确认器件的发光来自电子-空穴在rubrene分子上复合而形成的激子发光.该器件的最大外量子效率和亮度分别达到了0.03%和0.35cd·m-2,还进一步探讨了液体发光层的光致发光及荧光量子效率等特征.%An organic light-emitting diode (OLED) with a liquid host of 9-(2-ethylhexyl)carbazole (EHCz) doped with a guest dye of S,6, 11, 12-tetraphenylnapthacene (rubrene) was demonstrated. Here the poly(3, 4-ethylenedioxy thiophene) : poly (styrenesulphonate)(PEDOT: PSS) and Cs2CO3 were served as the hole injection material and electron injection material, respectively. The device structure consists of ITO/PEDOT: PSS/EH Cz : rubrene/Cs2CO3/ITO. Electroluminescence from rubrene with the highest external quantum efficiency of 0. 03% at 0. 26 mA · crn-2 was obtained. The photoluminescence (PL) and PL quantum efficiency of the materials were further studied.

  3. Kinetics and mechanism of desulfurization and denitrogenation of coal-derived liquids. Tenth quarterly report, September 21-December 20, 1977

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B. C.; Katzer, J. R.; Olson, J. H.; Kwart, H.; Stiles, A. B.

    1978-01-20

    Three high-pressure flow microreactors and two batch autoclave reactors have been used to study the reaction networks and kinetics of: (1) catalytic hydrodesulfurization of dibenzothiophene and methyl-substituted dibenzothiophenes; and (2) catalytic hydrodenitrogenation of quinoline, methyl-substituted quinolines, acridine and carbazole. The catalysts were commercial, sulfided CoO-MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/, NiO-MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/, and NiO-WO/sub 3//..gamma..-Al/sub 2/O/sub 3/. At the typical conditions of 300/sup 0/C and 104 atm, dibenzothiophene reacts to give H/sub 2/S and biphenyl in high yield, but there is some hydrogenation preceding desulfurization. Methyl-substituted dibenzothiophenes react similarly, and each reaction is first-order in the sulfur-containing compound. Two methyl groups near the sulfur atom (in the 4 and 6 positions) reduce the reactivity tenfold, whereas methyl groups in positions further removed from the sulfur atom increase reactivity about twofold. The results are consistent with steric and inductive effects influencing adsorption. The data indicate competitive adsorption among the sulfur-containing compounds. In quinoline hydrodenitrogenation, both rings are saturated before the C-N bond is broken. Similarly, in acridine conversion a large amount of hydrogenation precedes nitrogen removal. Breaking of the carbon-nitrogen bond is evidently one of the slower reactions in the network. The Ni-Mo catalyst is about twice as active as the Co-Mo catalyst for ring hydrogenation, and the two catalysts are about equally active for breaking the carbon-nitrogen bond. Reactivity of carbazole is slightly lower than that of quinoline but higher than that of acridine.

  4. Spectral, stoichiometric ratio, physicochemical, polarity and photostability studies of newly synthesized chalcone dye in organized media

    Energy Technology Data Exchange (ETDEWEB)

    Marwani, Hadi M., E-mail: hmarwani@kau.edu.sa [Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Asiri, Abdullah M. [Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Khan, Salman A. [Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia)

    2013-04-15

    The main focus of this study was to investigate spectroscopic properties, stoichiometric ratios, physicochemical parameters, polarity and photostability behaviors of newly synthesized chalcone dye in organized media. The chalcone dye, 1-(2,5-Dimethyl-thiophen-3-yl)-3-(9-etnyl-9H-carbazol-3-yl)-propenone (DTEP), was prepared by the reaction of carbazole aldehyde with 3-acetyl-2,5-dimethythiophene. Data obtained from FT-IR, {sup 1}H-–NMR, {sup 13}C-NMR and elemental analysis were consistent with chemical structure of newly prepared DTEP. Increases in fluorescence intensities of DTEP with cetyltrimethyl ammonium bromide (CTAB) were observed. In comparison of fluorescence intensities for DTEP with CTAB, reductions in fluorescence intensities for DTEP with sodium dodecyl sulfate (SDS) were noticed under the same experimental and instrumental conditions. Additionally, Benesi–Hildebrand method was applied to determine stoichiometric ratios and association constants of DTEP with CTAB and SDS. Stern–Volmer plot was used in order to further confirm the stoichiometric ratio and association constant of DTEP with SDS. Physicochemical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment and fluorescence quantum yield of DTEP were also determined. Fluorescence polarity study displayed that DTEP was sensitive to the polarity of the microenvironment provided by different solvents. Finally, fluorescence steady-state measurements revealed that DTEP has high photostability against photobleaching. -- Highlights: ► Mechanistic understanding of molecular structure of newly synthesized chalcone dye. ► Exploring spectral behaviors and physicochemical parameters of chalcone dye. ► Determination of stoichiometric ratios and association constants of chalcone dye. ► Determination of fluorescence quantum yield in different solvents. ► High photostability against photobleaching of chalcone dye was observed.

  5. Do assorted approaches aid in estimation of uronic acids? Case studies on Tinospora sinensis polysaccharides.

    Science.gov (United States)

    Kumar, Vineet; Nagar, Shipra; Tripathi, Y C

    2014-09-01

    Polysaccharides containing uronic acids are of immense biological significance. Colorimetric methods using different chromogens have been explored for uronic acid estimation in polysaccharides but these methods counter numerous difficulties, when neutral sugars are present in substantial amount. The uronic acid content of cold water-soluble polysaccharide (CWSP) and hot water-soluble polysaccharide (HWSP) isolated from Tinospora sinensis, widely known for marked therapeutic significance has been studied. The uronic acid was quantitatively estimated by spectrophotometric methods using carbazole, 3-phenylphenol and 3,5-dimethylphenol (DMP) vis-a-vis gas-liquid chromatography (GLC) analysis. Galacturonic acid in CWSP and HWSP was estimated as 1.41% and 1.20% respectively. The findings bring to light, the efficacy of chromogens and also reveal to what extent, they could be relied upon. The results also indicated higher specificity and selectivity of DMP over carbazole and 3-phenylphenol. However, GLC analysis despite time consuming remains the finest method for precise estimation of uronic acids. Further, GLC analysis of alditol acetates indicated the monosugar composition of L-rhamnose, L-arabinose, D-mannose, D-galactose and D-glucose in molar ratio 0.178, 0.259, 0.140, 1.045 and 98.377 in CWSP and L-rhamnose, L-arabinose, D-xylose, D-mannose, D-galactose and D-glucose in molar ratio 0.608, 0.628, 0.978, 0.227, 0.111 and 97.448 in HWSP respectively. PMID:25034757

  6. 盐酸昂丹司琼7种微量杂质的鉴定及定量分析%Identification and Determination of Seven Impurities in Ondansetron Hydrochloride

    Institute of Scientific and Technical Information of China (English)

    冯茹; 孙宇鹏; 王琳; 童元峰; 吴松; 王琰; 蒋晔

    2011-01-01

    .8mL·min-1;进样量:10μL;检测波长:266 nm.HPLC/DAD/MS条件离子源:APCI;扫描模式:正离子.结果 盐酸昂丹司琼及其7种杂质9-甲基-3-(二甲胺基)甲基-1,2,3,9-四氢-4H-咔唑-4-酮(4H-carbazol-4-one,3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-,A1)、9-甲基-3-(二甲胺基)甲基-1,2,3,9-四氢-4H-咔唑-4-酮(4H-carbazol-4-one,3-[(dimethylamino)methyl)-1,2,3,9-tetrahydro-,A2)、1,2,3,9-四氢-9-甲基-4H-咔唑酮(4H-carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-,A3),1,2,3,9-四氢-4H-咔唑酮(4H-carbazol-4-one,1,2,3,9-tetrahydro-,A4)、1,2,3,9-四氢-9-甲基-3-亚甲咔唑酮(4H-carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-methylene-,A5),1,2,3,9-四氢-3-(1H-咪唑基-1-甲基)-9-甲基-4H-咔唑酮(4H-carbazol-4-one,1,2,3,9-tetrahydro-3-[(1H-imidazol-l-yl)methyl]-9-methyl-,Z1),1,2,3,9-四氢-3-[(2-甲基-1H一咪唑-1-)-4H-咔唑酮(4H-carbazol-4-one,1,2,3,9-tetrahydro-3-[(2-methyl-1H-imidazol-l-yl)methyl]-,Z2)的线性范围分别为:0.009 7-1.94μg(r=0.9997),0.0104-2.08μg(r=0.9997),0.0098-1.96μg(r=0.9999),0.0095-1.90μg(r=0.9998),0.0105-2.10 μg(r=0.9998),0.0096-1.92μg(r=0.9998),0.0104-2.08μg(r=0.9998),0.0105-2.10μg(r=0.9997);最低检测限分别为0.29,0.31,0.49,0.10,0.10,0.29,0.31,0.16 ng;定量限分别为0.97,1.04,1.47,0.29,0.32,0.96,1.04,0.52 ng.结论 盐酸昂丹司琼及其7种微量杂质分离良好;对其两批制剂及一批原料药进行检测,其中原料药中检出杂质A1,A3,A5含量超过0.11%.该方法简单、准确、可靠、具有较广泛的适用性,可以作为盐酸昂丹司琼及其7种可能的微量杂质的质量控制方法.

  7. 邻-吡啶苯并噻二唑衍生物的合成与双光子荧光传感性能%Two-Photon Sensors for Proton Derived from 7-Pyridinylbenzo[c][1,2,5]thiadiazole Receptor

    Institute of Scientific and Technical Information of China (English)

    赵维峰; 王筱梅; 罗建芳; 陶绪堂

    2011-01-01

    Two new chromophores with carbazole as molecular focal point bearing either one o-pyridine-benzothiadiazole unit or two o-pyridine-benzothiadiazole units at the periphery respectively, named as 2,8-(o-pyridine-benzothiadiazole)-N-ethyl-carbazole (CPTZ1) and 2,8-bis(o-pyridine-benzothiadiazole)-N-ethyl-carbazole (CPTZ2), were synthesized and characterized by IR spectra, 1H NMR spectra and MS. The influence of proton upon one-photon and two-photon fluorescence about these two compounds was discussed. Stern-Volmer equation gives that the S-V constants (kg) of one-photon fluorescence (1PF) of CPTZ1 and CPTZ2 are 0.04 and 0. 10 L · mol-1 , respectively; white the k2psv of two-photon fluorescence (2PF) of CPTZ1 and CPTZ2 are 0. 20 and 0. 22 L · mol-1, respectively. Obviously, two-photon (2P) fluorescence detection presented more sensitivity than one-photon (1P) fluorescence response, which exhibits the potential application of two-photon sensor in PH detection.%以吡啶苯并噻二唑基元为荧光传感"接受体(齿)",将其与咔唑"核"键合获得单齿和双齿两个化合物:2,8-(2-吡啶苯并噻二唑)-N-乙基氮杂笏(CPTZ1)和2,8-双(2-吡啶苯并噻二唑)-N-乙基氮杂芴(CPTZ2),并通过红外光谱、核磁共振谱、质谱表征.通过稳态/瞬态单光子荧光测试和飞秒钛宝石激光器泵浦探测,探讨了CPTZ1和CPTZ2化合物对质子[H+]的敏感性.Stern-Volmer方程给出CPTZ1的单、双光子荧光的猝灭常数分别为:k1PSV=0.04 L·mol-1,k2PSV=0.20 L·moL-1;而CPTZ2的猝灭常数则分别为k1PSV=0.10 L·moL-1,k2PSV(CPTZ2)=0.22 L·moL-1.研究结果表明,双光子荧光(TPF)检测表现出对质子更高的敏感性,其灵敏度是相应的单光子荧光(OPF)的2~5倍.

  8. Concentrations of Polycyclic Aromatic Hydrocarbons (PAHs) and Azaarenes in Runoff from Freshly Applied Coal-Tar-Based Pavement Sealcoat

    Science.gov (United States)

    Mahler, B. J.; Van Metre, P. C.

    2013-12-01

    Coal-tar-based sealcoat (CT-sealcoat) is extensively applied to asphalt parking lots and driveways in the U.S. and Canada. Toxicity to fish and invertebrates of runoff from pavement to which CT-sealcoat has been freshly applied has been reported, but relatively little is known about how concentrations of chemicals in runoff change in the hours to days following sealcoat application. We measured the concentrations of 16 U.S. Environmental Protection Agency Priority Pollutant polycyclic aromatic hydrocarbons (PAHs) and 7 azaarenes in 9 samples of simulated runoff from a coal-tar-sealed test plot collected at increasing intervals from 5 hours to 16 weeks following application. Azaarenes, several of which are common constituents in coal-tar pitch, and their oxidized derivatives, azaarones, are an emerging group of little-studied heterocyclic chemicals. Runoff samples were collected by spraying 25 L of a diluted groundwater to 10 m2 on sealed pavement and retrieving the runoff downgradient where the runoff pooled against spill berms. Unfiltered samples were analyzed by GC/MS following liquid-liquid extraction. In the first sample (t=5 hr), phenanthrene had the highest concentration (130 μg/L) among the 16 PAHs. Concentrations of the lower molecular weight (LMW) PAHs (2 and 3 ring) decreased during the 16 weeks following application, and concentrations of the higher molecular weight (HMW) PAHs (4 to 6 ring) increased, coincident with an increase in the concentration of suspended particulates. In the final sample (t=16 weeks), fluoranthene had the highest concentration (36 μg/L) among the 16 PAHs. Of the azaarenes measured, concentrations of acridine and carbazole (107 and 750 μg/L, respectively) in the initial sample exceeded those of any of the PAHs measured except phenanthrene; acridine and carbazole concentrations decreased over the 5 weeks to <5% of their initial values. Samples of dried sealcoat were analyzed the day of application and 5 weeks later. Samples were

  9. New Palladium-Catalyzed Approaches to Heterocycles and Carbocycles

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Qinhua [Iowa State Univ., Ames, IA (United States)

    2004-12-19

    The tert-butylimines of o-(1-alkynyl)benzaldehydes and analogous pyridinecarbaldehydes have been cyclized under very mild reaction conditions in the presence of I2, ICl, PhSeCl, PhSCl and p-O2NC6H4SCl to give the corresponding halogen-, selenium- and sulfur-containing disubstituted isoquinolines and naphthyridines, respectively. Monosubstituted isoquinolines and naphthyridines have been synthesized by the metal-catalyzed ring closure of these same iminoalkynes. This methodology accommodates a variety of iminoalkynes and affords the anticipated heterocycles in moderate to excellent yields. The Pd(II)-catalyzed cyclization of 2-(1-alkynyl)arylaldimines in the presence of various alkenes provides an efficient way to synthesize a variety of 4-(1-alkenyl)-3-arylisoquinolines in moderate to excellent yields. The introduction of an ortho-methoxy group on the arylaldimine promotes the Pd-catalyzed cyclization and stabilizes the resulting Pd(II) intermediate, improving the yields of the isoquinoline products. Highly substituted naphthalenes have been synthesized by the palladium-catalyzed annulation of a variety of internal alkynes, in which two new carbon-carbon bonds are formed in a single step under relatively mild reaction conditions. This method has also been used to synthesize carbazoles, although a higher reaction temperature is necessary. The process involves arylpalladation of the alkyne, followed by intramolecular Heck olefination and double bond isomerization. This method accommodates a variety of functional groups and affords the anticipated highly substituted naphthalenes and carbazoles in good to excellent yields. Novel palladium migratiodarylation methodology for the synthesis of complex fused polycycles has been developed, in which one or more sequential Pd-catalyzed intramolecular migration processes involving C-H activation are employed. The chemistry works best with electron-rich aromatics, which is in agreement

  10. Precursor polymer approach towards functional conjugated polymer networks and ultrathin film electro-optical applications

    Science.gov (United States)

    Taranekar, Prasad

    Conjugated polymers are organic semiconductors which are of interest to a wide variety of optical, electronic, opto-electronic, and sensory applications; including light emitting diodes, thin film transistors, photovoltaic cells, and chemical sensors. While conducting polymers have some similarities to conventional polymeric materials, it is clearly the extensive main chain pi-conjugated structure and its implicit electro-optical properties that make it distinct. The same structure, however, gives it "chain stiffness" that affects its physical behavior. As a direct consequence of this, virtually all unsubstituted conducting polymers are found to be intractable and insoluble. This dissertation details the issue of tailoring the electro-optical properties and processability of conjugated polymers via a novel "precursor polymer approach". In this approach, electroactive side group units of either similar or different kind are tethered to a polymeric backbone. This combination determines the eventual electro-optical and electrochemical properties of these polymers including their ability to form ultrathin films. Thus, the desired macroscopic property is transformed by designing new precursor polymer structures, manipulating polymer-based compositions and blends, and the exploration and exploitation of their electrochemical processing conditions. In Chapters 2, 3, and 4, we have used single or binary electroactive compositions of species such as pyrrole, thiophene, carbazole and terthiophene are tethered to a linear polymeric backbone. Besides, the linear approach, in Chapters 5 and 6, we have also explored the use of generational dendrimers as backbone with carbazole units attached as peripheral electroactive groups. These precursor polymers were then subjected to electrochemical cross-linking to generate high optical quality ultrathin films on a conducting substrate such as indium tin oxide (ITO) or Au surfaces. The reaction of such electroactive species inimically

  11. Simulations of charge transport in organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vehoff, Thorsten

    2010-05-05

    We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main

  12. Preorganized anion traps for exploiting anion-π interactions: an experimental and computational study.

    Science.gov (United States)

    Bretschneider, Anne; Andrada, Diego M; Dechert, Sebastian; Meyer, Steffen; Mata, Ricardo A; Meyer, Franc

    2013-12-01

    1,3-Bis(pentafluorophenyl-imino)isoindoline (A(F)) and 3,6-di-tert-butyl-1,8-bis(pentafluorophenyl)-9H-carbazole (B(F)) have been designed as preorganized anion receptors that exploit anion-π interactions, and their ability to bind chloride and bromide in various solvents has been evaluated. Both receptors A(F) and B(F) are neutral but provide a central NH hydrogen bond that directs the halide anion into a preorganized clamp of the two electron-deficient appended arenes. Crystal structures of host-guest complexes of A(F) with DMSO, Cl(-), or Br(-) (A(F):DMSO, A(F):Cl(-), and A(2)(F):Br(-)) reveal that in all cases the guest is located in the cleft between the perfluorinated flaps, but NMR spectroscopy shows a more complex situation in solution because of E,Z/Z,Z isomerism of the host. In the case of the more rigid receptor B(F), Job plots evidence 1:1 complex formation with Cl(-) and Br(-), and association constants up to 960 M(-1) have been determined depending on the solvent. Crystal structures of B(F) and B(F):DMSO visualize the distinct preorganization of the host for anion-π interactions. The reference compounds 1,3-bis(2-pyrimidylimino)isoindoline (A(N)) and 3,6-di-tert-butyl-1,8-diphenyl-9H-carbazole (B(H)), which lack the perfluorinated flaps, do not show any indication of anion binding under the same conditions. A detailed computational analysis of the receptors A(F) and B(F) and their host-guest complexes with Cl(-) or Br(-) was carried out to quantify the interactions in play. Local correlation methods were applied, allowing for a decomposition of the ring-anion interactions. The latter were found to contribute significantly to the stabilization of these complexes (about half of the total energy). Compounds A(F) and B(F) represent rare examples of neutral receptors that are well preorganized for exploiting anion-π interactions, and rare examples of receptors for which the individual contributions to the binding energy have been quantified. PMID

  13. Oxidative desulfurization of synthetic diesel using supported catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Cedeno Caero, Luis; Jorge, F.; Navarro, A.; Gutierrez-Alejandre, Aida [UNICAT, Depto. de Ing. Quimica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Cd. Universitaria, 04510 Mexico D.F. (Mexico)

    2006-09-15

    Oxidative desulfurization (ODS) of a synthetic diesel was carried out at mild conditions (atmospheric pressure and 60{sup o}C) in presence of V{sub 2}O{sub 5}/Al{sub 2}O{sub 3} and V{sub 2}O{sub 5}/TiO{sub 2} catalysts. Two main aspects were studied: the effect of the oxidant reagent and the presence of nitrogen compounds on ODS of benzothiophenic compounds prevailing in diesel, such as benzothiophene, dibenzothiophene and alkyl substituted in positions 4 and 6. Results show that activity is improved when using hydrogen peroxide, as oxidant reagent, and V{sub 2}O{sub 5}/Al{sub 2}O{sub 3}, as catalyst. This result was attributed to the high decomposition of peroxide due to the presence of catalyst. In presence of nitrogen compounds, the ODS activity decreases in the order: quinoline>indole>carbazole. In order to explain this effect, successive chemisorption of DBT and quinoline on V{sub 2}O{sub 5}/Al{sub 2}O{sub 3} catalyst was evaluated by FT-IR, and the results show that DBT is displaced by quinoline, occupying the adsorption sites of catalyst. N-compound effect could be explained by strong adsorption of nitrogen compounds on catalytic sites. (author)

  14. BMVC test, an improved fluorescence assay for detection of malignant pleural effusions

    International Nuclear Information System (INIS)

    The diagnosis of malignant pleural effusions is an important issue in the management of malignancy patients. Generally, cytologic examination is a routine diagnostic technique. However, morphological interpretation of cytology is sometimes inconclusive. Here an ancillary method named BMVC test is developed for rapid detection of malignant pleural effusion to improve the diagnostic accuracy at low cost. A simple assay kit is designed to collect living cells from clinical pleural effusion and a fluorescence probe, 3,6-Bis(1-methyl-4-vinylpyridinium) carbazole diiodide (BMVC), is used to illuminate malignant cells. The fluorescence intensity is quantitatively analyzed by ImageJ program. This method yields digital numbers for the test results without any grey zone or ambiguities in the current cytology tests due to intra-observer and inter-observer variability. Comparing with results from double-blind cytologic examination, this simple test gives a good discrimination between malignant and benign specimens with sensitivity of 89.4% (42/47) and specificity of 93.3% (56/60) for diagnosis of malignant pleural effusion. BMVC test provides accurate results in a short time period, and the digital output could assist cytologic examination to become more objective and clear-cut. This is a convenient ancillary tool for detection of malignant pleural effusions

  15. Surfactant-free, low band gap conjugated polymer nanoparticles and polymer:fullerene nanohybrids with potential for organic photovoltaics.

    Science.gov (United States)

    Wang, Suxiao; Singh, Amita; Walsh, Nichola; Redmond, Gareth

    2016-06-17

    Stable, aqueous dispersions of nanoparticles based on the low band gap polymers poly [2,7-(9,9-dioctyl-fluorene)-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (APFO-3) and poly [N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) were prepared, using a flexible, surfactant-free reprecipitation method, and characterized by a variety of optical techniques. Light scattering measurements indicated average nanoparticle hydrodynamic diameters of approximately 40 nm. The particles presented wide-bandwidth absorption and photoluminescence excitation spectra with high absorption cross-sections on the order of 10(-12) cm(2). Nanoparticle emission spectra were significantly red-shifted, with decreased emission quantum yields and lifetimes, consistent with increased inter-polymer chain interactions in the condensed phase. Single particle photoluminescence studies highlighted the multi-chromophoric nature of the polymer nanoparticles and confirmed their favorable photostabilities. When the nanoparticles were doped with [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), the correspondence of photoluminescence emission quenching, quantum yield decreases, emission lifetime shortening, and increased non-radiative rates with increasing PCBM concentration suggested efficient photo-induced donor-to-acceptor charge transfer between the conjugated polymers and the fullerene dopants co-localized in the nanoparticle cores. Taken together, the data suggest that these surfactant-free hybrid nanomaterials may be useful for integration with future nanostructured organic photovoltaics technologies. PMID:27159927

  16. 2-D Metal Organic Structure Based on Dipyrazolate Ligand through Ni...N and Ni...H-N Interactions

    Institute of Scientific and Technical Information of China (English)

    SHAO Ying; QIN Lin; YUShu-Yan

    2012-01-01

    By employing functional ligand 3,6-bis(3,5-dimethyl-lH-pyrazol-4-yl)-9-methyl- 9H-carbazole, a novel luminescent Ni complex has been obtained. Its structure was characterized by single-crystal X-ray diffraction analysis. Crystal data: monoclinic, space group P2/c, a = 13.4224(18), b = 13.759(2), c = 8.0633(17)/~, fl = 96.448(3)~, C23H23NsNi(NO3)2, M,. = 552.19, V = 1479.7(4) A3, Z = 2, Dc = 1.239 g/cm3,/ffMoKa) = 0.700 mm-1, F(000) = 572, the final R = 0.0566 and wR = 0.1336 for 1638 observed reflections with I 〉 2a(/). X-ray analysis indicates that each metal center coordinates with two N and two H atoms in tetrahedral interaction geometry. Weak interaction between Ni and N atom of pyrazole ligand and agostic bond (Ni...H-N interaction) play important roles in the formation of the 2-dimension framework. Significantly, this framework could pack into a tubular channel with NO3 anions trapped inside.

  17. Organic compounds downstream from a treated-wastewater discharge near Dallas, Texas, March 1987

    Science.gov (United States)

    Buszka, P.M.; Barber, L.B., II; Schroeder, M.P.; Becker, L.D.

    1994-01-01

    Water and streambed-sediment samples were collected on March 9 and 10,1987 from one site upstream and three sites downstream of the discharge from a municipal wastewater-treatment plant on Rowlett Creek near Dallas, Texas. To extract and separate organic compounds, purgeand-trap, closed-loop stripping, and pH-adjusted solvent extraction methods were used for water samples; and a Soxhlet-solvent extraction method was used for streambed sediment. These methods were combined with gas chromatography/mass spectrometry to identify organic compounds in Rowlett Creek. Results from this study confirm the persistence of many organic compounds in water as far as 13.5 kilometers downstream of the wastewater discharge. These include: (1) the volatile organic compounds chloroform, 1,2-dichlorobenzene, 1,4-dichlorobenzene, tetrachloroethene, and trichloroethene; (2) several linear alkylbenzene compounds, octyl phenol, and a tetramethylbutyl phenol isomer that are related to detergent use; (3) 9-phenyl-9H-carbazole, a compound related to coal tars and coal combustion residues; and (4) caffeine. The only compound present in water in concentrations greater than U.S. Environmental Protection Agency maximum contaminant levels for drinking water was tetrachloroethene (6.0 micrograms per liter) in a sample collected 13.5 kilometers downstream from the waste water discharge. Compounds identified from the streambed-sediment samples include a xylene isomer at 7.7 kilometers downstream and chrysene, fluoranthene, pyrene, and a xylene isomer at 13.5 kilometers downstream from the wastewater discharge.

  18. Monitoring the contents of six steroidal and phenolic endocrine disrupting chemicals in chicken, fish and aquaculture pond water samples using pre-column derivatization and dispersive liquid-liquid microextraction with the aid of experimental design methodology.

    Science.gov (United States)

    Wu, Hongliang; Li, Guoliang; Liu, Shucheng; Hu, Na; Geng, Dandan; Chen, Guang; Sun, Zhiwei; Zhao, Xianen; Xia, Lian; You, Jinmao

    2016-02-01

    This research established a sensitive and efficient pre-column derivatization HPLC method based on dispersive liquid-liquid microextraction (DLLME) for the simultaneous determination of six steroidal and phenolic endocrine disrupting chemicals (EDCs). In this study, EDCs were firstly labeled by the derivatization reagent 2-(11H-benzo[a]carbazol-11-yl) ethyl carbonochloridate (BCEC-Cl) and then extracted by DLLME. The response surface methodology was employed to investigate the key parameters of pre-column derivatization and DLLME. Under the optimal conditions, a good linear relationship between the peak area and the concentration of analytes was observed with correlation coefficients of >0.9991. Limits of detection for all EDCs derivatives were achieved within the range of 0.02-0.07 μg L(-1). The proposed method has the advantages of simple operation, low consumption of organic solvent, saving time, low output limit and good selectivity. When applied to several food and water samples analysis, it demonstrated good applicability for the determination of EDCs. PMID:26304325

  19. Simultaneous determination of six triterpenic acids in some Chinese medicinal herbs using ultrasound-assisted dispersive liquid-liquid microextraction and high-performance liquid chromatography with fluorescence detection.

    Science.gov (United States)

    Wu, Hongliang; Li, Guoliang; Liu, Shucheng; Liu, Di; Chen, Guang; Hu, Na; Suo, Yourui; You, Jinmao

    2015-03-25

    A novel analytical method was developed for simultaneous determination of six triterpenic acids using ultrasound-assisted dispersive liquid-liquid microextraction (UA-DLLME) follow by high-performance liquid chromatography (HPLC) with fluorescence detection. Six triterpenic acids (ursolic acid, oleanolic acid, betulinic acid, maslinic acid, betulonic acid and corosolic acid) were extracted by UA-DLLME using chloroform and acetone as the extraction and disperser solvents, respectively. After the extraction and nitrogen flushing, the extracts were rapidly derivatized with 2-(12,13-dihydro-7H-dibenzo[a,g]carbazol-7-yl)ethyl4-methylbenzenesulfonate. The main experimental parameters affecting extraction efficiency and derivatization yield were investigated and optimized by response surface methodology (RSM) combined with Box-Behnken design (BBD). The limits of detection (LODs) and the limits of quantification (LOQs) were in the range of 0.95-1.36 ng mL(-1) and 3.17-4.55 ng mL(-1), respectively. Under the optimum conditions, the method has been successfully applied for the analysis of triterpenic acids in six different traditional Chinese medicinal herbs. PMID:25569287

  20. EXTRACTION, QUANTIFICATION, AND MOLAR MASS DETERMINATION OF HYALURONIC ACID EXTRACTED FROM CHICKEN CREST

    Directory of Open Access Journals (Sweden)

    C. S. ROSA

    2008-11-01

    Full Text Available

    Hyaluronic acid (HA is part of the connective tissue. The polymer is composed of alternating units of ß-d-glucuronic acid and N-acetyl-ß-d-glucosamine linked, respectively, via 1-3 and 1-4 bonds. The chicken crest is one of the richest tissues in this polysaccharide. Since Brazil is one of the main chicken exporters in the world, the utilization of the crests of abated animals for the HA obtaining is particularly attractive. The present work sought to extract HA from chicken crest and to determine the molar mass of the extracted acid. Extraction was accomplished by proteolytic digestion with papain during 24 h at 60oC, followed by precipitation with cetylpyridinium chloride (CPC. Hexuronic acid content was determined via the carbazole method, the intrinsic viscosity was measured using the ball viscosimeter, and the molar mass was calculated by extrapolating the calibration line to zero. In addition, qualitative infrared spectroscopy was carried out on the sample using the Bomem MB spectrophotometer. The results show that the extraction method was effective: the extracted acid possesses a large molecular mass, and the extract contains a signifi cant amount of HA.

  1. Selective Removal of Nitrogen-Containing Heterocyclic Compounds from Transportation Diesel Fuels with Reactive Adsorbent

    Institute of Scientific and Technical Information of China (English)

    YANG Lei; WANG Shengqiang; WANG Ruicong; YU Hongbing

    2013-01-01

    This paper presents a new selective adsorbent to remove nitrogen-containing heterocyclic compounds from model and commercial transportation diesel fuels based on characteristic reaction designed to occur in the pores of substrate.This reactive adsorbent is composed of formaldehyde,phosphotungstic acid and Santa Barbara USA (SBA)-15.The experiment was based on assumed hydroxymethylation reaction of nitrogen-containing heterocyclic compounds with formaldehyde using phosphotungstic acid as catalyst in batch and fixed-bed systems.The nitrogen concentration in the model fuel was 237.33 ng·μl-1,carbazole and toluene were used as model nitrogen-containing heterocyclic compound and solvent,respectively.The effectiveness of reactive adsorbent for removal of nitrogen-containing heterocyclic compounds from commercial 0# diesel fuel containing 224.86 ng· μl-1 nitrogen was examined in a fixed-bed reactor at 70 ℃.The results showed that nitro1gen in the model fuel was very low and the nitrogen concentration in the commercial diesel reduced to 2.44 ng· μl-1.The demand for transportation fuel with ultra-low nitrogen is satisfied.

  2. High-efficiency diphenylsulfon derivatives-based organic light-emitting diode exhibiting thermally activated delayed fluorescence

    CERN Document Server

    Lee, Geon Hyeong

    2016-01-01

    Novel thermally activated delayed fluorescence (TADF) material with diphenyl sulfone (DPS) as an electron acceptor and 3,6-dimethoxycarbazole (DMOC) and 1,3,6,8-Tetramethyl-9H-carbazole (TMC) as electron donors were investigated theoretically for a blue organic light emitting diode (OLED) emitter. We calculate the energies of the first singlet (S1) and first triplet (T1)-excited states of TADF materials by performing density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations on the ground state using a dependence on charge transfer amounts for the optimal Hartree-Fock percentage in the exchange-correlation of TD-DFT. The calculated {\\Delta}EST values of TMC-DPS (0.094 eV) was smaller than DMOC-DPS (0.386 eV) because of the large dihedral angles between the donor and accepter moieties. We show that TMC-DPS would have a suitable blue OLED emitter, because it has a large dihedral angle that creates a small spatial overlap between the HOMO and the LUMO and, consequently, the small {\\Delta}EST an...

  3. Evaluation of a Direct Rapid Immunohistochemical Test (dRIT) for Rapid Diagnosis of Rabies in Animals and Humans

    Institute of Scientific and Technical Information of China (English)

    Shampur Narayan Madhusudana; Sundaramurthy Subha; Ullas Thankappan; Yajaman Belludi Ashwin

    2012-01-01

    Presently the gold standard diagnostic technique for rabies is the direct immunofluorescence assay (dFA) which is very expensive and requires a high level of expertise.There is a need for more economical and user friendly tests,particularly for use in developing countries.We have established one such test called the direct rapid immunohistochemical test (dRIT) for diagnosis of rabies using brain tissue.The test is based on capture of rabies nucleoprotein (N) antigen in brain smears using a cocktail of biotinylated monoclonal antibodies specific for the N protein and color development by streptavidin peroxidase-amino ethyl carbazole and counter staining with haematoxollin.The test was done in parallel with standard FAT dFA using 400 brain samples from different animals and humans.The rabies virus N protein appears under light microscope as reddish brown particles against a light blue background.There was 100 % correlation between the results obtained by the two tests.Also,interpretation of results by dRIT was easier and only required a light microscope.To conclude,this newly developed dRIT technique promises to be a simple,cost effective diagnostic tool for rabies and will have applicability in field conditions prevalent in developing countries.

  4. Highly efficient red phosphorescent organic light-emitting devices based on solution-processed small molecular mixed-host

    International Nuclear Information System (INIS)

    Highly efficient solution-processed red phosphorescent organic light-emitting devices were developed using 4,4′,4″-tris (N-carbazolyl)-triphenylamine (TCTA) blended with 4,4′-bis-(carbazol-9-yl)biphenyl (CBP) as a mixed-host for the emitting layer. The performances of the fabricated devices made with different mixing ratios of host materials were investigated, and were found to depend on the mixing ratios. Under the optimal TCTA:CBP ratio (3:7), the maximum luminous efficiency of the device reached 19.9 cd/A, corresponding to external quantum efficiency of 11.1%. Moreover, this device with the mixed-host structure shows over 50% enhanced efficiency compared with the device using CBP as the single host. These improvements were attributed to the mixed-host structure, which effectively enhanced the hole injection/transport properties and gave a good charge carrier balance. - Highlights: • Solution processed high efficiency red phosphorescent OLEDs. • Small molecule mixed host system exhibits good device performances. • A maximum current efficiency of 19.9 cd/A was obtained in the device. • Mixed-host structure was utilized to obtain better charge carrier balance

  5. Studies of the effect of selected nondonor solvents on coal liquefaction yields

    Energy Technology Data Exchange (ETDEWEB)

    Jolley, R. L.; Rodgers, B. R.; Benjamin, B. M.; Poutsma, M. L.; Douglas, E. C.; McWhirter, D. A.

    1983-09-01

    The objective of this research program was to evaluate the effectiveness of selected nondonor solvents (i.e., solvents that are not generally considered to have hydrogen available for hydrogenolysis reactions) for the solubilization of coals. Principal criteria for selection of candidate solvents were that the compound should be representative of a major chemical class, should be present in reasonable concentration in coal liquid products, and should have the potential to participate in hydrogen redistribution reactions. Naphthalene, phenanthrene, pyrene, carbazole, phenanthridine, quinoline, 1-naphthol, and diphenyl ether were evaluated to determine their effect on coal liquefaction yields and were compared with phenol and two high-quality process solvents, Wilsonville SRC-I recycle solvent and Lummus ITSL heavy oil solvent. The high conversion efficacy of 1-naphthol may be attributed to its condensation to binaphthol and the consequent availability of hydrogen. The effectiveness of both the nitrogen heterocycles and the polycyclic aromatic hydrocarbon (PAH) compounds may be due to their polycyclic aromatic nature (i.e., possible hydrogen shuttling or transfer agents) and their physical solvent properties. The relative effectiveness for coal conversion of the Lummus ITSL heavy oil solvent as compared with the Wilsonville SRC-I process solvent may be attributed to the much higher concentration of 3-, 4-, and 5-ring PAH and hydroaromatic constituents in Lummus solvent. The chemistry of coal liquefaction and the development of recycle, hydrogen donor, and nondonor solvents are reviewed. The experimental methodology for tubing-bomb tests is outlined, and experimental problem areas are discussed.

  6. Benzo[b]naphthothiophenes and alkyl dibenzothiophenes: molecular tracers for oil migration distances

    Science.gov (United States)

    Li, Meijun; Wang, T.-G.; Shi, Shengbao; Liu, Keyu; Ellis, Geoffrey S.

    2014-01-01

    The secondary migration of petroleum is one of the most critical geological processes responsible for the accumulation of hydrocarbons in a sedimentary basin. Pyrrolic nitrogen compounds such as carbazoles and benzocarbazoles are thought to be practical molecular indicators for estimating relative migration distances of oil. In light oils or condensates, however, considerable analytical errors are usually caused by low concentrations of NSO-compounds. Here we show that polycyclic sulfur aromatic hydrocarbons such as dibenzothiophene, C1∼C3 alkylated dibenzothiophenes and benzo[b]naphthothiophenes, which are present in relatively higher concentrations than the pyrrolic nitrogen compounds, exhibit changes in both absolute and relative concentrations that correlate with migration distances. The polycyclic sulfur aromatic hydrocarbons related parameters — benzo[b]naphtho[2,1-d]thiophene/{benzo[b]naphtho[2,1-d]thiophene + benzo[b]naphtho[1,2-d]thiophene} (abbreviated as [2,1]BNT/([2,1]BNT+[1,2]BNT) and the concentration of total dibenzothiophenes plus benzo[b]naphthothiophenes — are proposed by this paper to trace the oil migration distances.

  7. Power generating reflective-type liquid crystal displays using a reflective polariser and a polymer solar cell

    Science.gov (United States)

    Ho Huh, Yoon; Park, Byoungchoo

    2015-06-01

    We herein report the results of a study of a power generating reflective-type liquid crystal display (LCD), composed of a 90° twisted nematic (TN) LC cell attached to the top of a light-absorbing polymer solar cell (PSC), i.e., a Solar-LCD. The PSC consisted of a polymer bulk-heterojunction photovoltaic (PV) layer of poly[[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl] and [6,6]-phenyl C71 butyric acid methyl ester (PCDTBT:PCBM70), and showed a high power conversion efficiency of about 5%. In order to improve the visibility of the Solar-LCD, between the TN-LC and the PV cells we inserted a reflective polariser of a giant birefringent optical (GBO) film. The reflectivity from the Solar-LCD was observed to be considerably increased by more than 13-15% under illumination by visible light. The Solar-LCD also exhibited a significantly improved contrast ratio of more than 17-19. We believe there is a clear case for using such Solar-LCDs in new power-generating reflective-type displays; taken as a whole these results also demonstrate the possibility of their application in a number of energy-harvesting opto-electrical display devices.

  8. Murrayafoline A attenuates the Wnt/{beta}-catenin pathway by promoting the degradation of intracellular {beta}-catenin proteins

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hyuk; Gwak, Jungsug; Cho, Munju; Ryu, Min-Jung [PharmacoGenomics Research Center, Inje University, Busan 614-735 (Korea, Republic of); Lee, Jee-Hyun; Kim, Sang Kyum; Kim, Young Ho [College of Pharmacy, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Lee, Gye Won [Department of Pharmaceutical Engineering, Konyang University, Nonsan 320-711 (Korea, Republic of); Yun, Mi-Young [Department of Beauty Health Care, Daejeon University, Daejeon 305-764 (Korea, Republic of); Cuong, Nguyen Manh [Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Shin, Jae-Gook [PharmacoGenomics Research Center, Inje University, Busan 614-735 (Korea, Republic of); Song, Gyu-Yong, E-mail: gysong@cnu.ac.kr [College of Pharmacy, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Oh, Sangtaek, E-mail: ohsa@inje.ac.kr [PharmacoGenomics Research Center, Inje University, Busan 614-735 (Korea, Republic of)

    2010-01-01

    Molecular lesions in Wnt/{beta}-catenin signaling and subsequent up-regulation of {beta}-catenin response transcription (CRT) occur frequently during the development of colon cancer. To identify small molecules that suppress CRT, we screened natural compounds in a cell-based assay for detection of TOPFalsh reporter activity. Murrayafoline A, a carbazole alkaloid isolated from Glycosmis stenocarpa, antagonized CRT that was stimulated by Wnt3a-conditioned medium (Wnt3a-CM) or LiCl, an inhibitor of glycogen synthase kinase-3{beta} (GSK-3{beta}), and promoted the degradation of intracellular {beta}-catenin without altering its N-terminal phosphorylation at the Ser33/37 residues, marking it for proteasomal degradation, or the expression of Siah-1, an E3 ubiquitin ligase. Murrayafoline A repressed the expression of cyclin D1 and c-myc, which is known {beta}-catenin/T cell factor (TCF)-dependent genes and thus inhibited the proliferation of various colon cancer cells. These findings indicate that murrayafoline A may be a potential chemotherapeutic agent for use in the treatment of colon cancer.

  9. Decreased Expression of the Aryl Hydrocarbon Receptor in Ocular Behcet’s Disease

    Directory of Open Access Journals (Sweden)

    Chaokui Wang

    2014-01-01

    Full Text Available Recent studies show that the aryl hydrocarbon receptor (AhR is involved in immune responses. AhR is activated following interaction with its ligands, such as 6-formylindolo[3,2-b]carbazole (FICZ and 2-(1′H-indole-3′-carbonyl-thiazole-4-carboxylic acid methyl ester (ITE. In this study, we investigated the role of AhR activation by its endogenous ligands in the pathogenesis of ocular Behcet’s disease (BD. The expression of AhR was significantly decreased in active BD patients as compared to inactive BD patients and normal controls. Both FICZ and ITE inhibited Th1 and Th17 polarization and induced the expression of IL-22 by PBMCs and by CD4+T cells in active BD patients and normal controls. Stimulation of purified CD4+T cells with FICZ or ITE caused a decreased expression of RORC, IL-17, IL-23R, and CCR6 and an increased phosphorylation of STAT3 and STAT5. The present study suggests that a decreased AhR expression is associated with disease activity in BD patients. The activation of AhR by either FICZ or ITE was able to inhibit Th1 and Th17 cell polarization. Further studies are needed to investigate whether modulation of AhR might be used in the treatment of BD.

  10. Decreased expression of the aryl hydrocarbon receptor in ocular Behcet's disease.

    Science.gov (United States)

    Wang, Chaokui; Ye, Zi; Kijlstra, Aize; Zhou, Yan; Yang, Peizeng

    2014-01-01

    Recent studies show that the aryl hydrocarbon receptor (AhR) is involved in immune responses. AhR is activated following interaction with its ligands, such as 6-formylindolo[3,2-b]carbazole (FICZ) and 2-(1'H-indole-3'-carbonyl)-thiazole-4-carboxylic acid methyl ester (ITE). In this study, we investigated the role of AhR activation by its endogenous ligands in the pathogenesis of ocular Behcet's disease (BD). The expression of AhR was significantly decreased in active BD patients as compared to inactive BD patients and normal controls. Both FICZ and ITE inhibited Th1 and Th17 polarization and induced the expression of IL-22 by PBMCs and by CD4(+)T cells in active BD patients and normal controls. Stimulation of purified CD4(+)T cells with FICZ or ITE caused a decreased expression of RORC, IL-17, IL-23R, and CCR6 and an increased phosphorylation of STAT3 and STAT5. The present study suggests that a decreased AhR expression is associated with disease activity in BD patients. The activation of AhR by either FICZ or ITE was able to inhibit Th1 and Th17 cell polarization. Further studies are needed to investigate whether modulation of AhR might be used in the treatment of BD.

  11. Dimerization and Isomerism Effects on Two-Photon Absorption of Tetraphenylethene Derivatives and Molecular Design for Two-Photon Absorption Materials.

    Science.gov (United States)

    Wang, Fu-Qing; Zhao, Ke; Zhu, Mei-Yu; Wang, Chuan-Kui

    2016-09-15

    The two-photon absorption (TPA) properties of a new tetraphenylethene derivative and its covalent dimers have been calculated employing the density functional response theory. It is found that linear arrangement of branches can give rise to a cooperative TPA behavior. Partial planarity and linear arrangement are the possible reasons for the observed aggregation-induced TPA enhancement. On the basis of the model molecule, we have designed a series of tetraphenylethene derivatives which differ by donor moieties, connection modes, or central bridges after taking the structure-property relationship of TPA mechanism into account. The TPA spectra of the designed molecules have been calculated, and their TPA properties are analyzed at length. Our results suggest that the change of the connection mode of the carbazole group and the introduction of a vinylene or ethynylene linkage into a molecule can enhance TPA intensity greatly. It can be expected that all of the designed molecules could possess high TPA features. This research is helpful for the design of efficient TPA materials. PMID:27564774

  12. Electrospinning fabrication and oxygen sensing properties of Cu(I) complex-polystyrene composite microfibrous membranes

    International Nuclear Information System (INIS)

    In this paper, a phosphorescent Cu(I) complex of [Cu(POP)(ECI-Phen)]BF4, where POP=bis[2-(diphenylphosphino)phenyl]ether, and ECI-Phen=1-ethyl-2-(N-ethyl-carbazole-yl-4-)imidazo[4,5-f] 1,10-phenanthroline, is incorporated into a polystyrene matrix of polystyrene (PS) to form microfibers membranes. The possibility of using the resulted composite microfibrous membranes as an optical oxygen sensor is explored. Good linearity and short response time are obtained with a sensitivity of 9.8. These results suggest that phosphorescent [Cu(POP)(ECI-Phen)]BF4 is a promising candidate for oxygen-sensors and PS is an excellent matrix for oxygen sensing material because it owns a large surface-area-to-volume ratio and can supply a homogeneous matrix for probe molecules. Further analysis suggests that the molecular structure of diamine ligand in Cu(I) complexes is critical for sensitivity due to the characteristic electronic structure of excited state Cu(I) complexes. - Highlights: → Cu(I) complex is incorporated into polystyrene matrix to form nanofibers. → Resulted sample exhibit good linearity and short response time. → PS is an excellent matrix for oxygen sensing material for probe molecules. → Molecular structure of diamine ligand is critical for sensitivity.

  13. The Use of Nanoclays to Modify the Morphology and Photoluminescence of Electrospun Poly(9-vinylcarbazole)/Poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] Blend Fibers

    Science.gov (United States)

    Balderas, Jesús-Uriel; Falcony, Ciro; Jiménez, Gloria-Lesly; Garzón, Amanda-Stephanie; Mondragón, Margarita

    2015-04-01

    The morphology and photoluminescence properties of electrospun poly(9-vinylcarbazole) (PVK)/poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) blend fibers, which were loaded with either halloysite clay nanotubes (HNTs) or an organically modified montmorillonite (OMMT) clay, were studied by scanning electron microscopy, transmission electron microscopy, and fluorescence spectroscopy. A concentration range of 0-30 wt.% was used for the clays, while the MEH-PPV concentration was fixed at 0.5 wt.%. Both clays, especially the OMMT clay, increased the phase separation of the components in the electrospun PVK/MEH-PPV blend fibers. This was attributed to their selective localization on the polymer phases. The HNTs and OMMT clay also increased energy transfer to the lowest energy states of MEH-PPV generated during electrospinning, and modified the amount of the partially overlapping conformation of carbazole groups (p-PVK) that constrained the aggregation of the PVK chains. These changes resulted in an increased emission from p-PVK, which varied depending on the type and concentration of the clay.

  14. The AhR is involved in the regulation of LoVo cell proliferation through cell cycle-associated proteins.

    Science.gov (United States)

    Yin, Jiuheng; Sheng, Baifa; Han, Bin; Pu, Aimin; Yang, Kunqiu; Li, Ping; Wang, Qimeng; Xiao, Weidong; Yang, Hua

    2016-05-01

    Some ingredients in foods can activate the aryl hydrocarbon receptor (AhR) and arrest cell proliferation. In this study, we hypothesized that 6-formylindolo [3, 2-b] carbazole (FICZ) arrests the cell cycle in LoVo cells (a colon cancer line) through the AhR. The AhR agonist FICZ and the AhR antagonist CH223191 were used to treat LoVo cells. Real-time PCR and Western blot analyses were performed to detect the expression of the AhR, CYP1A1, CDK4, cyclinD1, cyclin E, CDK2, P27, and pRb. The distribution and activation of the AhR were detected with immunofluorescence. A 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2-H-tetrazolium bromide (MTT) assay and flow cytometric analysis were performed to measure cell viability, cell cycle stage, and apoptosis. Our results show that FICZ inhibited LoVo cell proliferation by inducing G1 cell cycle arrest but had no effect on epithelial apoptosis. Further analysis found that FICZ downregulated cyclinD1 and upregulated p27 expression to arrest Rb phosphorylation. The downregulation of cyclinD1 and upregulation of p27 were abolished by co-treatment with CH223191. We conclude that the AhR, when activated by FICZ (an endogenous AhR ligand), can arrest the cell cycle and block LoVo cell proliferation.

  15. Structure and Luminescence Behaviour of Ag+/π-Donor Complexes (In German)

    Science.gov (United States)

    Zander, M.

    1982-12-01

    Photoluminescence (ethanol, 77 K) of 2-naphthylamine (I), its N,N-dimethyl derivative (II), 1-methyl-naphthalene (III) and 1-naphthyl-9-carbazyl-methane (IV) in the presence of AgNO3 has been studied. The results obtained can be explained assuming different types of Ag+-compIexing with the π-donor: (i) Covalent linkage between Ag and N in the case of I, (ii) Charge-transfer complexation with the aromatic units of II and III , respectively, and (iii) Charge-transfer complexation with the carbazole in IV as the stronger π-donor compared to 1-methyl-naphthalene. Most of the photophysical properties of the systems AgNO3/π-donor can be understood as resulting from heavy atom spin-orbit coupling effects. However, a strong effect of AgNO3 on the structure of the phosphorescence spectra of II and III is shown not to result from heavy atom spin-orbit coupling interaction.

  16. Asymmetric catalytic formation of quaternary carbons by iminium ion trapping of radicals

    Science.gov (United States)

    Murphy, John J.; Bastida, David; Paria, Suva; Fagnoni, Maurizio; Melchiorre, Paolo

    2016-04-01

    An important goal of modern organic chemistry is to develop new catalytic strategies for enantioselective carbon–carbon bond formation that can be used to generate quaternary stereogenic centres. Whereas considerable advances have been achieved by exploiting polar reactivity, radical transformations have been far less successful. This is despite the fact that open-shell intermediates are intrinsically primed for connecting structurally congested carbons, as their reactivity is only marginally affected by steric factors. Here we show how the combination of photoredox and asymmetric organic catalysis enables enantioselective radical conjugate additions to β,β-disubstituted cyclic enones to obtain quaternary carbon stereocentres with high fidelity. Critical to our success was the design of a chiral organic catalyst, containing a redox-active carbazole moiety, that drives the formation of iminium ions and the stereoselective trapping of photochemically generated carbon-centred radicals by means of an electron-relay mechanism. We demonstrate the generality of this organocatalytic radical-trapping strategy with two sets of open-shell intermediates, formed through unrelated light-triggered pathways from readily available substrates and photoredox catalysts—this method represents the application of iminium ion activation (a successful catalytic strategy for enantioselective polar chemistry) within the realm of radical reactivity.

  17. Epigenetically Mediated Pathogenic Effects of Phenanthrene on Regulatory T Cells

    Directory of Open Access Journals (Sweden)

    Jing Liu

    2013-01-01

    Full Text Available Phenanthrene (Phe, a polycyclic aromatic hydrocarbon (PAH, is a major constituent of urban air pollution. There have been conflicting results regarding the role of other AhR ligands 2,3,7,8- tetrachlorodibenzo-p-dioxin (TCDD and 6-formylindolo [3,2-b]carbazole (FICZ in modifying regulatory T cell populations (Treg or T helper (Th17 differentiation, and the effects of Phe have been understudied. We hypothesized that different chemical entities of PAH induce Treg to become either Th2 or Th17 effector T cells through epigenetic modification of FOXP3. To determine specific effects on T cell populations by phenanthrene, primary human Treg were treated with Phe, TCDD, or FICZ and assessed for function, gene expression, and phenotype. Methylation of CpG sites within the FOXP3 locus reduced FOXP3 expression, leading to impaired Treg function and conversion of Treg into a CD4+CD25lo Th2 phenotype in Phe-treated cells. Conversely, TCDD treatment led to epigenetic modification of IL-17A and conversion of Treg to Th17 T cells. These findings present a mechanism by which exposure to AhR-ligands mediates human T cell responses and begins to elucidate the relationship between environmental exposures, immune modulation, and initiation of human disease.

  18. Highly efficient organic blue light emitting devices using doped transport layers

    Energy Technology Data Exchange (ETDEWEB)

    Seidler, Nico; Reineke, Sebastian; Walzer, Karsten; Luessem, Bjoern; Leo, Karl [Institut fuer Angewandte Physik/Photophysik, Technische Universitaet Dresden, D-01062 Dresden (Germany); Tomkeviciene, Ausra; Grazulevicius, Juozas V. [Department of Organic Technology, Kaunas University of Technology, Kaunas LT-50254 (Lithuania)

    2009-07-01

    In contrast to red and green OLEDs, blue light emitting devices are still far away from the theoretical limit of about 20 % external quantum efficiency. The best results so far have been achieved involving ultrahigh energy gap organosilicon compounds. Due to their poor transport properties, high efficiencies are obtained only at low current densities and high voltages. We used the blue phosphorescent emitter iridium(III)bis[(4,6-di-fluorophenyl)-pyridinato-N,C{sup 2{sup '}}]picolinate (FIrpic) as a dopant in the host material 3,6-di(9-carbazolyl)-9-(2-ethylhexyl)carbazole, which possesses both a large triplet exciton energy and good charge carrier transport properties. It was therewith possible to efficiently confine the triplet excitons on the emitting molecules and keep the recombination zone away from the blocking layers. This results in a high external quantum efficiency of 13.1 % at a brightness of 1,000 cd/m{sup 2}. Due to the superior charge carrier injection properties provided by the doped transport layers, this brightness could be achieved at low voltages of only 4.0 V, resulting in a high power efficiency of 22.5 lm/W.

  19. Synthesis of an A-D-A type of molecule used as electron acceptor for improving charge transfer in organic solar cells

    Science.gov (United States)

    Zhang, Chao-Zhi; Gu, Shu-Duo; Shen, Dan; Yuan, Yang; Zhang, Mingdao

    2016-08-01

    Electron-accepting molecules play an important role in developing organic solar cells. A new type of A-D-A molecule, 3,6-di([7-(5-bromothiophen-2-yl)-1,5,2,4,6,8-dithiotetrazocin-3-yl]thiophen-2-yl)-9-(2-ethylhexyl)carbazole, was synthesized. The lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) energy levels are -3.55 and -5.85 eV, respectively. Therefore, the A-D-A type of compound could be used as electron acceptor for fabricating organic solar cell with a high open circuit voltage. Gibbs free energy (-49.2 kJ/mol) reveals that the process of A-D-A acceptor accepting an electron from poly(3-hexylthiophene) at excited state is spontaneous. The value of entropy (118 J/mol) in the process of an electron transferring from P3HT to the A-D-A acceptor at organic interface suggests that electrons generated from separation of electron-hole pairs at donor/acceptor interface would be delocalized efficiently. Therefore, the A-D-A molecule would be a potential acceptor for efficient organic BHJ solar cells.

  20. Synthesis and fluorescent properties of poly(arylpyrazoline)'s for organic-electronics

    Science.gov (United States)

    Vandana, T.; Ramkumar, V.; Kannan, P.

    2016-08-01

    The present work focuses on the synthesis and characterization of poly(arylchalcone)'s (PCH I-IV) by reacting acetone with various dialdehydes for the first time at below ambient temperature followed by cyclization with phenylhydrazinehydrochloride to yield luminescent poly(arylpyrazoline)'s (PPY I-IV). The synthesized polymers were characterized by standard techniques such as, GPC, SEM, TGA, FT-IR, 1H NMR, UV-Vis absorption and fluorescence spectroscopy, and electrochemical studies by cyclic voltammetry analyses. The Pyrazoline group hooked with different aryl donors such as benzene, thiophene, carbazole, triphenylamine, thus results a series of blue and green emitting materials. The obtained optical bandgap energy of the polymers (PPY I-IV) were 2.53, 3.41, 3.07, 3.10 eV respectively, suggest that all the polymers belongs to semiconducting category. The solvent effect of polymers was thoroughly studied and explained by Lippert-Mataga equation. The polymers I & IV display large degree of intra-molecular charge transfer in excited state evidenced from solvatochromic shift on the emission spectra. The obtained results demonstrate that they are promising materials for organic electronics applications.

  1. Long-Range Energy Transfer and Singlet-Exciton Migration in Working Organic Light-Emitting Diodes

    Science.gov (United States)

    Ingram, Grayson L.; Nguyen, Carmen; Lu, Zheng-Hong

    2016-06-01

    Rapid industrialization of organic light-emitting devices for flat-panel displays and solid-state lighting makes a deep understanding of device physics more desirable than ever. Developing reliable experimental techniques to measure fundamental physical properties such as exciton diffusion lengths is a vital part of developing device physics. In this paper, we present a study of exciton diffusion and long-range energy transfer in working organic light-emitting devices, and a study of the interplay between these two tangled processes through both experimental probes and simulations. With the inclusion of multiple factors including long-range energy transfer, exciton boundary conditions, and the finite width of the exciton generation zone, we quantify exciton migration based on emission characteristics from rubrene sensing layers placed in working organic light-emitting devices. This comprehensive analysis is found to be essential to accurately measuring exciton diffusion length, and in the present case the measured singlet-exciton diffusion length in the archetype material 4' -bis(carbazol-9-yl)biphenyl is 4.3 ±0.3 nm with a corresponding diffusivity of (2.6 ±0.3 )×10-4 cm2/s .

  2. Neat C₇₀-based bulk-heterojunction polymer solar cells with excellent acceptor dispersion.

    Science.gov (United States)

    Gasparini, Nicola; Righi, Sara; Tinti, Francesca; Savoini, Alberto; Cominetti, Alessandra; Po, Riccardo; Camaioni, Nadia

    2014-12-10

    The replacement of common fullerene derivatives with neat-C70 could be an effective approach to restrain the costs of organic photovoltaics and increase their sustainability. In this study, bulk-heterojunction solar cells made of neat-C70 and low energy-gap conjugated polymers, PTB7 and PCDTBT, are thoroughly investigated and compared. Upon replacing PC70BM with C70, the mobility of positive carriers in the donor phase is roughly reduced by 1 order of magnitude, while that of electrons is only slightly modified. It is shown that the main loss mechanism of the investigated neat-C70 solar cells is a low mobility-lifetime product. Nevertheless, PCDTBT:C70 devices undergo a limited loss of 7.5%, compared to the reference PCDTBT:PC70BM cells, reaching a record efficiency (4.44%) for polymer solar cells with unfunctionalized fullerenes. The moderate efficiency loss of PCDTBT:C70 devices, due to an unexpected excellent miscibility of PCDTBT:C70 blends, demonstrates that efficient solar cells made of neat-fullerene are possible. The efficient dispersion of C70 in the PCDTBT matrix is attributed to an interaction between fullerene and the carbazole unit of the polymer.

  3. Surfactant-free, low band gap conjugated polymer nanoparticles and polymer:fullerene nanohybrids with potential for organic photovoltaics.

    Science.gov (United States)

    Wang, Suxiao; Singh, Amita; Walsh, Nichola; Redmond, Gareth

    2016-06-17

    Stable, aqueous dispersions of nanoparticles based on the low band gap polymers poly [2,7-(9,9-dioctyl-fluorene)-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (APFO-3) and poly [N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) were prepared, using a flexible, surfactant-free reprecipitation method, and characterized by a variety of optical techniques. Light scattering measurements indicated average nanoparticle hydrodynamic diameters of approximately 40 nm. The particles presented wide-bandwidth absorption and photoluminescence excitation spectra with high absorption cross-sections on the order of 10(-12) cm(2). Nanoparticle emission spectra were significantly red-shifted, with decreased emission quantum yields and lifetimes, consistent with increased inter-polymer chain interactions in the condensed phase. Single particle photoluminescence studies highlighted the multi-chromophoric nature of the polymer nanoparticles and confirmed their favorable photostabilities. When the nanoparticles were doped with [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), the correspondence of photoluminescence emission quenching, quantum yield decreases, emission lifetime shortening, and increased non-radiative rates with increasing PCBM concentration suggested efficient photo-induced donor-to-acceptor charge transfer between the conjugated polymers and the fullerene dopants co-localized in the nanoparticle cores. Taken together, the data suggest that these surfactant-free hybrid nanomaterials may be useful for integration with future nanostructured organic photovoltaics technologies.

  4. Efficient near-infrared polymer and organic light-emitting diodes based on electrophosphorescence from (tetraphenyltetranaphtho[2,3]porphyrin)platinum(II).

    Science.gov (United States)

    Sommer, Jonathan R; Farley, Richard T; Graham, Kenneth R; Yang, Yixing; Reynolds, John R; Xue, Jiangeng; Schanze, Kirk S

    2009-02-01

    The new metalloporphyrin Pt(tptnp), where tptnp = tetraphenyltetranaphtho[2,3]porphyrin, has been prepared and subjected to photophysical and electrooptical device studies. In degassed toluene solution at room temperature Pt(tptnp) features efficient phosphorescence emission with lambda(max) 883 nm with a quantum efficiency of 0.22. The complex has been used as the active phosphor in polymer and organic light-emitting diodes. Polymer light-emitting diodes based on a spin-coated emissive layer consisting of a blend of Pt(tptnp) doped in poly(9-vinylcarbazole) and 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole exhibit near-IR emission with lambda(max) 896 nm, with a maximum external quantum efficiency (EQE) of 0.4% and a maximum radiant emittance of 100 muW/cm(2). Organic light-emitting diodes prepared via vapor deposition of all layers and that feature an optimized multilayer hole injection and electron blocking layer heterostructure with an emissive layer consisting of 4,4'-bis(carbazol-9-yl)biphenyl (CBP) doped with Pt(tptnp) exhibit a maximum EQE of 3.8% and a maximum radiant emittance of 1.8 mW/cm(2). The polymer and organic light-emitting diodes characterized in this study exhibit record high efficiency for devices that emit in the near-IR at lambda >800 nm. PMID:20353214

  5. Reduced amplified spontaneous emission threshold in organic semiconductor laser structure with relaxed roll-off characteristics under high current densities

    International Nuclear Information System (INIS)

    We reduced the amplified spontaneous emission (ASE) threshold in an organic semiconductor laser structure by the introduction of an exciton blocking layer adjacent to the cathode layer. A phenyl-dipyrenylphosphine oxide (POPy2) layer with the function of an electron transport layer and the exciton blocking layer were inserted between an active layer of 4,4-bis[N-(carbazole)styrylbiphenyl] (BSB-Cz) and a metal cathode layer. The electron injection barrier from POPy2 to BSB-Cz is downward, indicating no net energy barrier, and the hole injection barrier from the BSB-Cz layer into the POPy2 layer is also small because of the similarity between the highest occupied molecular orbital levels of the materials. Therefore, the proposed device structure can avoid extra carrier accumulations at the heterointerface, leading to compatibility in terms of both relaxation of the exciton-polaron annihilation and blocking of the energy transfer from the BSB-Cz layer into the cathode layer. -- Highlights: • An exciton blocking layer (EBL) was introduced between an emitting layer (EML) and a cathode. • The carrier injection barriers between EBL and EML was significantly small. • The ASE threshold was reduced by the exciton confinement in EML. • The electrically pumped device showed relaxation of the roll-off by avoiding carrier accumulation

  6. Isolation and Quantification of Glycosaminoglycans from Human Hair Shaft

    Science.gov (United States)

    Bonovas, Stefanos; Sitaras, Nikolaos

    2016-01-01

    Background There is evidence that glycosaminoglycans (GAGs) are present in the hair shaft within the follicle but there are no studies regarding GAGs isolation and measurement in the human hair shaft over the scalp surface, it means, in the free hair shaft. Objective The purpose of our research was to isolate and measure the total GAGs from human free hair shaft. Methods Seventy-five healthy individuals participated in the study, 58 adults, men and women over the age of 50 and 17 children (aged 4~9). GAGs in hair samples, received from the parietal and the occipital areas, were isolated with 4 M guanidine HCl and measured by the uronic acid-carbazole reaction assay. Results GAGs concentration was significantly higher in the occipital area than in the parietal area, in all study groups. GAG levels from both areas were significantly higher in children than in adults. GAG levels were not associated with gender, hair color or type. Conclusion We report the presence of GAGs in the human free hair shaft and the correlation of hair GAG levels with the scalp area and participants' age.

  7. [IncP-7 plasmids' classification based on structural diversity of their basic replicons].

    Science.gov (United States)

    Volkova, O V; Panov, A V; Kosheleva, I A; Boronin, A M

    2013-01-01

    The structural diversity of basic replicons and repB gene of the IncP-7 plasmids' collection was firstly assessed on the basis of PCR, restriction analysis and partial sequencing. It has been revealed that DNA fragment containing gene for UvrD-like helicase RepB is a part of all known P-7 replicons, but often serves as hot place for diverse IS-elements invasion. The first system of P-7 plasmids' classification has been worked out on the basis of determined repA-oriV-par WABC nucleotide divergency. Most degradation plasmids established to be belonging to large beta-subgroup, streptomycin resistance plasmid Rms148 (IncP-7 archetype)--to alpha-subgroup, carbazole degradation plasmid pCAR1 and NAH/SAL-plasmids from pY-line (Yamal oil deposits)--to gamma-subgroup and CAP-plasmid pBS270 with potentially reduced P-7 replicon--to delta-subgroup. It has been observed that the type of IncP-7 basic replicon molecular organization does not correlate with fixed phenotypic character in most cases, that is plasmids encoding different phenotypic markers could be members of the same P-7 subgroup. PMID:23808156

  8. Naphthalene degradation by bacterial consortium (DV-AL) developed from Alang-Sosiya ship breaking yard, Gujarat, India.

    Science.gov (United States)

    Patel, Vilas; Jain, Siddharth; Madamwar, Datta

    2012-03-01

    Naphthalene degrading bacterial consortium (DV-AL) was developed by enrichment culture technique from sediment collected from the Alang-Sosiya ship breaking yard, Gujarat, India. The 16S rRNA gene based molecular analyzes revealed that the bacterial consortium (DV-AL) consisted of four strains namely, Achromobacter sp. BAB239, Pseudomonas sp. DV-AL2, Enterobacter sp. BAB240 and Pseudomonas sp. BAB241. Consortium DV-AL was able to degrade 1000 ppm of naphthalene in Bushnell Haas medium (BHM) containing peptone (0.1%) as co-substrate with an initial pH of 8.0 at 37°C under shaking conditions (150 rpm) within 24h. Maximum growth rate and naphthalene degradation rate were found to be 0.0389 h(-1) and 80 mg h(-1), respectively. Consortium DV-AL was able to utilize other aromatic and aliphatic hydrocarbons such as benzene, phenol, carbazole, petroleum oil, diesel fuel, and phenanthrene and 2-methyl naphthalene as sole carbon source. Consortium DV-AL was also efficient to degrade naphthalene in the presence of other pollutants such as petroleum hydrocarbons and heavy metals.

  9. Material optimization for electro-optic modulation and cascading

    Science.gov (United States)

    Reyes, Jorge; Darracq, Bruno; Canva, Michael; Blanchard-Desce, Mireille H.; Chaput, Frederic; Lahlil, Khalid; Boilot, Jean-Pierre; Brun, Alain; Levy, Yves

    2000-11-01

    A large effort has been devoted to the preparation of organic polymeric materials for electro-optic modulation and more recently for cascading based processes. These materials contain push-pull chromophores either incorporated as guest in a high Tg polymeric matrix (doped polymers) or grafted onto the polymeric matrix. These systems present several advantages but require significant improvement at the molecular level- by designing optimized chromophores with very large molecular figure of merit specific to each application targeted. The sol-gel route was used to prepare hybrid organic-inorganic materials, for the fabrication of amorphous solids of various shapes (bulk, think films...). The results obtained on optimized chromophore-doped poled thin films emphasize that intermolecular interactions have to be taken into account, as already pointed out by Dalton and coworkers. By combining a molecular engineering strategy for getting large molecular figure of merit and by controlling the intermolecular dipole-dipole interactions via both tuning the push-pull chromophore concentration and the incorporation screening carbazole moieties in high concentration. This strategy allows us to obtain a r33 of about 50 pm/V at 831 nm for a new optimized chromophore structure. In parallel, these thin films are being processed to be used as passive components for integrated optics.

  10. Using Geochemical Method to Distinguish Lateral Migration and Vertical Migration in Rifted Basin: A Case Study from Eastern Lujiapu Depression in the Kailu Basin, NE China

    Institute of Scientific and Technical Information of China (English)

    ZHOU Shuqing; HUANG Haiping; LIU Yuming

    2008-01-01

    Migration fractionation diagnosis is complicated in rifted basins where migration distance is generally short and lateral migration in sandy beds and vertical migration along faults are co-existed. Quantitative data from GC-MS analysis makes it possible to distinguish lateral and vertical migration effects. Oils discovered from the Jiaolige oilfield, eastern Lujiapu Depression are derived from single source rock with similar maturity, which is an ideal case to study the migration fractionation effects. Compositional differences among oils are largely caused by the migration fractionation either laterally in sand beds or vertically along the faults. Subtle maturity differences are assessed by the classic saturated hydrocarbon parameters which have certain influence on nitrogen compounds. In a certain maturity range, the ratios of shield and semi-shield isomers to the exposed isomers of alkylcarbazoles change with maturity in an opposite direction with migration fractionation, which may conceal the migration influence. However, migration and maturation have the same effects on absolute concentrations of aikylated carbazoles and benzocarhazole [a]/([a]+[c]) ratios, which provides an ideal tool for migration direction assessment. Continuous variations among different samples reflect increased migration distance in sandy beds, while abrupt changes may indicate the change of migration conduit systems. Integrated both geochemical interpretation and geological constrains, not only migration direction can be determined, but also the conduit systems through the sandy beds or the. faults can be recognized.

  11. Improved photovoltaic performance of inverted polymer solar cells through a sol-gel processed Al-doped ZnO electron extraction layer.

    Science.gov (United States)

    Kim, Jun Young; Cho, Eunae; Kim, Jaehoon; Shin, Hyeonwoo; Roh, Jeongkyun; Thambidurai, Mariyappan; Kang, Chan-mo; Song, Hyung-Jun; Kim, SeongMin; Kim, Hyeok; Lee, Changhee

    2015-09-21

    We demonstrate that nanocrystalline Al-doped zinc oxide (n-AZO) thin film used as an electron-extraction layer can significantly enhance the performance of inverted polymer solar cells based on the bulk heterojunction of poly[[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl] (PCDTBT) and [6,6]-phenyl C(71)-butyric acid methyl ester (PC(70)BM). A synergistic study with both simulation and experiment on n-AZO was carried out to offer a rational guidance for the efficiency improvement. As a result, An n-AZO film with an average grain size of 13 to 22 nm was prepared by a sol-gel spin-coating method, and a minimum resistivity of 2.1 × 10(-3) Ω·cm was obtained for an Al-doping concentration of 5.83 at.%. When an n-AZO film with a 5.83 at.% Al concentration was inserted between the ITO electrode and the active layer (PCDTBT:PC(70)BM), the power conversion efficiency increased from 3.7 to 5.6%. PMID:26406762

  12. Resistance pressure sensor based on Ag/Cu/sub 2/O-PEPC-NiPc/Al composite

    International Nuclear Information System (INIS)

    This work reports on the fabrication and investigation of pressure sensor based on Ag/Cu/sub 2/O-PEPC-NiPc/Al composite. The active layer of the composite was deposited by drop-casting of the blend Cu/sub 2/O-PEPC-NiPc on flexible substrate. The thin film of the blend consist of cuprous oxide (Cu/sub 2/O) micropowder, (5 wt. %), poly-N-epoxypropyl carbazole (PEPC), (2 wt. %) and nickel phthalocyanine (NiPc) micropowder, (3 wt. %) in benzol (1 ml). The film thickness of the composite is in the range of 20-30 mu m. It is found that the fabricated sensor is sensitive to pressure and showed good repeatability. The decrease in resistance of the sensor is observed 10 times by increasing the external uniaxial pressure up to 11.7 kNm/sup -2/. The experimentally obtained results are compared with the simulated results and showed reasonable agreement with each other. (author)

  13. Aqueous high-temperature chemistry of carbo- and heterocycles. 29. Reactions of aryl hydrocarbons, aryl N-oxides and aryl carbonyl compounds in supercritical water at 460{degree}C

    Energy Technology Data Exchange (ETDEWEB)

    Katritzky, A.R.; Ignatchenko, E.S.; Allin, S.M.; Barcock, R.A.; Siskin, M.; Hudson, C.W. [University of Florida, Gainesville, FL (United States). Center for Heterocyclic Compounds, Dept. of Chemistry

    1997-01-01

    A series of aryl hydrocarbons, aryl N-oxides, and aryl carbonyl compounds were subjected to thermolysis at 460{degree}C in water alone, in 15% aqueous formic acid, in 15% aqueous sodium formate, and, for comparison of purely thermal reactions, in cyclohexane. The runs were carried out initially for 7 min and, in most cases, also for 1 h. The aryl carbonyl substrates underwent mainly carbonyl reduction mainly under reduction conditions, with ring opening only observed in significant amounts for 1,4-naphthoquinone and 3,4-benzocoumarin. The arenes produced mainly reduction products with only low yields of ring-opened products observed. Aryl oximes underwent significant denitrogenation and subsequent reduction with only very little cleavage to simpler aromatic systems. The N-oxides underwent deoxygenation, and in the case of isoquinoline, ring opening of the heterocyclce was prevalent. 2-Aminobiphenyl was denitrogenated and cleaved to simpler systems in cyclohexane, but in the aqueous systems it underwent mainly cyclization to yield carbazole with only low yields of denitrogenated products. 2-Phenylphenol was unreactive under aqueous conditions with only low yields of deoxygenated products observed. 11 refs., 15 figs., 1 tab.

  14. Very large photoconduction enhancement upon self-assembly of a new triindole derivative in solution-processed films

    Energy Technology Data Exchange (ETDEWEB)

    Gallego-Gomez, Francisco; Villalvilla, Jose M.; Quintana, Jose A.; Diaz-Garcia, Maria A. [Instituto Universitario de Materiales de Alicante and Dpto. Fisica Aplicada, Universidad de Alicante, 03080 Alicante (Spain); Garcia-Frutos, Eva M.; Gutierrez-Puebla, Enrique; Monge, Angeles; Gomez-Lor, Berta [Instituto de Ciencia de Materiales de Madrid, CSIC, C/Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain)

    2011-02-22

    A new carbazole-related small molecule exhibiting self-assembly into ordered nanostructures in solution-processed cast films has been synthesized and its charge-photogeneration and -transport properties have been investigated. Large photoconductivity was measured in the amorphous state while an enormous improvement in the photoconduction properties was observed when the molecules spontaneously organized. Photocurrents increased upon self-assembly by up to four orders of magnitude, mostly due to the drastic enhancement of the charge photogeneration. A greatly favorable arrangement of the aromatic cores in the resulting nanostructures, which were characterized by X-ray analysis, may explain these improvements. Photocurrents of mA cm{sup -2}, on/off ratios of 10{sup 4} and quantum efficiencies of unity at low field and light intensity, which are among the best values reported to date, along with the simplicity of fabrication, give this readily-available organic system great potential for use in plastic optoelectronic devices. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Ultrathin ammonium heptamolybdate films as efficient room-temperature hole transport layers for organic solar cells.

    Science.gov (United States)

    Qiu, Weiming; Hadipour, Afshin; Müller, Robert; Conings, Bert; Boyen, Hans-Gerd; Heremans, Paul; Froyen, Ludo

    2014-09-24

    Ammonium heptamolybdate (NH4)6Mo7O24·4H2O (AHM) and its peroxo derivatives are analyzed as solution-processed room temperature hole transport layer (HTL) in organic solar cells. Such AHM based HTLs are investigated in devices with three different types of active layers, i.e., solution-processed poly(3-hexylthiophene)/[6,6]-phenyl C61-butyric acid methyl ester(P3HT/PC60BM), poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)]/[6,6]-phenyl C70-butyric acid methyl ester(PCDTBT/PC70BM) and evaporated small molecule chloro(subphthalocyaninato)boron(III) (SubPc)/C60. By virtue of their high work functions, AHM based HTLs outperform the commonly used poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) HTL for devices employing deep HOMO level active materials. Moreover, devices using AHM based HTLs can achieve higher short circuit current (Jsc) than the ones with evaporated molybdenum oxide(eMoO3), and thus better power conversion efficiency (PCE). In addition, P3HT/PC60BM devices with AHM based HTLs show air stability comparable to those with eMoO3, and much better than the ones with PEDOT:PSS.

  16. Determination of polycyclic aromatic compounds and heavy metals in sludges from biological sewage treatment plants.

    Science.gov (United States)

    Bodzek, D; Janoszka, B; Dobosz, C; Warzecha, L; Bodzek, M

    1997-07-11

    The procedure of the analysis of polycyclic aromatic hydrocarbons (PAHs) and their derivatives in the sludges from biological sewage treatment plants has been worked out. The analysis included isolation of organic matter from sludges, separation of the extract into fractions of similar chemical character, qualitative-quantitative analysis of individual PAHs and their nitrogenated and oxygenated derivatives. Liquid-solid chromatography, solid-phase extraction and semipreparative band thin-layer chromatography techniques were used for the separation. Capillary gas chromatography-mass spectrometry analysis of the separated fractions enabled identification of more than 21 PAHs, including hydrocarbons which contained 2-6 aromatic rings as well as their alkyl derivatives, 10 oxygen derivatives, 9 nitroarenes, aminoarenes and over 20 azaarenes and carbazoles. Using the capillary gas chromatography-flame ionization detection technique the content of 17 dominant PAHs was determined. The content of heavy metals was determined in investigated sludges with the use of atomic absorption spectrometry. The concentrations of the respective metals could be ranked in the order Cd coal mine wastes, taking into consideration the contents of toxic organic pollutants and heavy metals. PMID:9253190

  17. QTAIM investigation of bis(pyrazol-1-ylmethane derivative and its Zn(II complexes (ZnLX2, X=Cl, Br or I

    Directory of Open Access Journals (Sweden)

    Dehestani Maryam

    2015-01-01

    Full Text Available Topological analyses of the electron density using the quantum theory of atoms in molecules (QTAIM have been carried out at the B3PW91/6-31g (d theoretical level, on bis(pyrazol-1-ylmethanes derivatives 9-(4-(di (1H-pyrazol-1-yl-methylphenyl-9H-carbazole (L and its zinc(II complexes: ZnLCl2 (1, ZnLBr2 (2 and ZnLI2 (3. The topological parameters derived from Bader theory were also analyzed; these are characteristics of Zn-bond critical points and also of ring critical points. The calculated structural parameters are the frontier molecular orbital energies highest occupied molecular orbital energy (EHOMO, lowest unoccupied molecular orbital energy (ELUMO, hardness (η, softness (S, the absolute electronegativity (χ, the electrophilicity index (ω and the fractions of electrons transferred (ΔN from ZnLX2 complexes to L. The numerous correlations and dependencies between energy terms of the Symmetry Adapted Perturbation Theory approach (SAPT, geometrical, topological and energetic parameters were detected and described.

  18. Development of analytical procedures for coprocessing

    Energy Technology Data Exchange (ETDEWEB)

    Vogh, J.W.; Anderson, R.P.

    1990-05-01

    Maya crude residue and Illinois No. 6 coal have been processed together over a range of reactant ratios to produce material for study of the product composition and of the coprocessing chemistry. The reaction conditions have been described in previous reports. Acid fractions have been derivatized to produce {sup 13}C tagged products suitable for NMR analysis. The acids have been identified as phenols and other oxygen acids, nitrogen acids including carbazoles, and benzylic and sulfur acids. All of the acid fractions appear to be essentially monofunctional. Base fractions were analyzed by nonaqueous titration and were shown to consist of azaarenes and arylamines. Two of the distillates boiling below 175{degrees}C were analyzed by PIANO capillary gas chromatography. Maya crude petroleum fractions similar to those obtained from coprocessing products have been analyzed for carbon isotope ratios. These fractions were prepared directly from the Maya crude without application of hydrogenation or other processing chemistry. Trends indicating isotopic fractionation coprocessing to that reported earlier for coprocessing products were observed. 14 figs., 13 tabs.

  19. Microcosm experiments of oil degradation by microbial mats.

    Science.gov (United States)

    de Oteyza, Tirso García; Grimalt, Joan O; Llirós, Marc; Esteve, Isabel

    2006-03-15

    Several microcosm experiments were run in parallel to evaluate the efficiency of microbial mats for crude oil degradation as compared with physico-chemical weathering. The oils used in the experiments constituted representative examples of those currently used for commercial purposes. One was aliphatic and of low viscosity (33.4 American Petroleum Institute degrees, degrees API) and the other was predominantly aromatic, with high sulphur content (ca. 2.7%) and viscosity (16.6 degrees API). After crude oil introduction, the microcosms were kept under cyclic changes in water level to mimic coastal tidal movements. The transformations observed showed that water weathering leads to more effective and rapid elimination of low molecular weight hydrocarbons than microbial mat metabolism, e.g. n-alkanes with chain length shorter than n-pentadecane or n-heptadecane, regular isoprenoid hydrocarbons with chain length lower than C16 or C18 or lower molecular weight naphthalenes. Microbial mats preserved these hydrocarbons from volatilization and water washing. However, hydrocarbons of lower volatility such as the C24-C30 n-alkanes or containing nitrogen atoms, e.g. carbazoles, were eliminated in higher proportion by microbial mats than by water weathering. The strong differences in composition between the two oils used for the experiments were also reflected in significant differences between water weathering and microbial mat biodegradation. Higher oil viscosity seemed to hinder the former but not the later. PMID:15935450

  20. Silole-Containing Polymer Nanodot: An Aqueous Low-Potential Electrochemiluminescence Emitter for Biosensing.

    Science.gov (United States)

    Feng, Yaqiang; Dai, Chunhui; Lei, Jianping; Ju, Huangxian; Cheng, Yixiang

    2016-01-01

    A novel D-A conjugated polymer backbone containing silole and 9-octyl-9H-carbazole units was synthesized via Sonogashira reaction. This silole-containing polymer (SCP) was further used to prepare SCP dots with a nanoprecipitation method, which showed an electrochemiluminescence (ECL) emission at relatively low potential in aqueous solution. The strong anodic ECL emission could be observed at +0.4 V (vs Ag/AgCl) with a peak value at +0.78 V in the presence of tri-n-propylamine (TPrA) as a co-reactant, which came from the band gap emission of the excited SCP dots. The ECL emission could be quenched via resonance energy transfer from the excited SCP dots to an acceptor. Thus, a low-potential anodic ECL sensing strategy was proposed for ECL detection of the acceptor-related analytes. Using dopamine as the analyte, whose electro-oxidation product could act as the energy acceptor to quench the ECL emission of SCP dots, the ECL detection method showed a detection limit of 50 nM and high anti-interference ability. This work demonstrates an example of polymer dots as an ECL emitter and its potential application in ECL detection methodology. PMID:26613322

  1. Chemistry and morphology of coal liquefaction. Quarterly report, January 1, 1984-March 31, 1984

    Energy Technology Data Exchange (ETDEWEB)

    Heinemann, H.

    1984-04-01

    In task 1, selective synthesis of gasoline-range components from synthesis gas, rate expressions were developed for four different iron catalysts (promoted and unpromoted). Data for all four catalysts can be correlated by a semi-empirical expression. In task 2 catalyzed low temperature reactions of carbon and water, the catalytic activity for the production of hydrocarbons from graphite and water over KOH plus a co-catalyst was investigated for several first row transition metals. NiO showed the greatest activity. Several samples of /sup 13/CO, /sup 13/CO/sub 2/ and H/sub 2/O adsorbed on graphite and on catalyst-graphite systems after reaction with steam were prepared for NMR investigation. In task 3 chemistry of coal solubilization and liquefaction, rate studies of quinoline reduction to tetrahydroquinoline in the presence of the homogeneous catalysts (phi/sub 3/P)/sub 3/RhCl have provided definitive evidence that benzothiophene, indole, pyrrole, carbazole, thiophene, p-cresol and dibenzothiophene enhance the initial rate of hydrogenation of quinoline by a factor greater than 1.5. P-cresol was found to enhance the initial rate of hydrogenation of quinoline (1.6 to 2 fold) in a model coal liquid with polymer-supported (2% cross-linked) (phi/sub 3/P)/sub 3/ RhCl. 2 references, 6 figures.

  2. Ligand enabling visible wavelength excitation of europium(III) for fluoroimmunoassays in aqueous micellar solutions.

    Science.gov (United States)

    Valta, Timo; Puputti, Eeva-Maija; Hyppänen, Iko; Kankare, Jouko; Takalo, Harri; Soukka, Tero

    2012-09-18

    Fluorescent reporters based on lanthanide ions, such as europium chelates, enable highly sensitive detection in immunoassays and other ligand binding assays. Unfortunately they normally require UV-excitation produced by a xenon flash or nitrogen laser light source. In order to use modern solid state excitation sources such as light emitting diodes (LEDs), these reporters need to be excited at wavelengths longer than 365 nm, where high-powered ultraviolet LEDs are available. A novel ligand, 9-ethyl-3,6-bis(5',5',5',4',4'-pentafluoro-1',3'-dioxopentyl)carbazole (bdc), was synthesized to efficiently excite europium(III) at wavelengths up to 450 nm in micellar solutions, and its performance was compared to a commercially available DELFIA enhancement solution. The detection limit of Eu(III) with the bdc-ligand using 365 nm excitation was determined to be 63 fM, which is 3 times lower than with the DELFIA solution. The bdc-ligand enabled sensitive detection of europium(III) ions in solution using 365 nm excitation and displayed similar sensitivity and functionality as commercially available DELFIA enhancement solution. Therefore, this novel enhancement solution might be a feasible alternative in producing time-resolved fluorescence under LED-excitation. PMID:22901050

  3. Spectral Characteristics of White Organic Light-emitting Diodes Based on Novel Phosphorescent Sensitizer

    Institute of Scientific and Technical Information of China (English)

    Xiao-qing Tang; Jun-sheng Yu; Lu Li; Wen Wen; Ya-dong Jiang

    2008-01-01

    White organic light-emitting diodes were fabricated by using a novel phosphorescence bis(1,2-diphenyl-1H-benzoimidazole)iridium(acetylacetonatc)[(pbi)2Ir(acac)] as sensitizer and a fluorescent dye of 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramcthyljulolidyl-9-enyl)-4H-pyran (DCJTB) codoped into a car-bazole polymcr of poly(N-vinylcarbazole) (PVK). Through characterizing the UV-Vis absorption spectra, the photoluminesccncc spectra of (pbi)2Ir(acac) and DCJTB, and the electrolumincscence spectral proper-ties of the WOLEDs, the energy transfer mechanisms of the codoped polymer system were deduced. The results demonstrate that the luminescent spectra with different intensity of (pbi)2Ir(acac) and DCJTB were co-existent in the EL spectra of the blended system, which is ascribed to an incomplete energy transfer process in the EL process. The efficient FSrster and Dexter energy transfer between the host and the guests enabled a strong yellow emission from (pbi)2Ir(acac) and DCJTB, where (pbi)2Ir(acac) plays an important role as a phosphorescent sensitizer for DCJTB. With the blue emitting-layer of N,N'-diphenyl-N,N'-bis(1-naphthyl)(1,1'-biphenyl)-4,4'-diamine, the codoped system device achieved white emission. The codoped system showed that its Commissions Internationale de l'Eclairage coordinates were more independent of the variation of bias voltage than those of phosphorescent doped PVK systems.

  4. Push-Pull Type Porphyrin Based Sensitizers: The Effect of Donor Structure on the Light-Harvesting Ability and Photovoltaic Performance

    KAUST Repository

    Qi, Qingbiao

    2015-06-23

    Push-pull type porphyrin-based sensitizers have become promising candidates for high-efficiency dye sensitized solar cells (DSCs). It is of importance to understand the fundamental structure-physical property-photovoltaic performance relationships by varying the donor and acceptor moieties. In this work, two new porphyrin-based sensitizers, WW-7 and WW-8, were synthesized and compared with the known sensitizer YD20. All the three dyes have the same porphyrin core and acceptor group (ethynylbenzoic acid) but their donor groups vary from the triphenylamine in YD20 to meso-diphenylaminoanthracene in WW-7 to N-phenyl carbazole in WW-8. Co(II/III)-based DSC device characterizations revealed that WW-7 showed enhanced light harvesting ability in comparison to YD20 with improved incident photon-to-collected electron conversion efficiencies (IPCEs). As a result, WW-7 displayed much higher short circuit current (Jsc: 13.54 mA cm-2) and open-circuit voltage (Voc: 0.829 V), with a power conversion efficiency (η) as high as 7.7%. Under the same conditions, YD20 cell exhibited a power conversion efficiency of 6.6% and the dye WW-8 showed even lower efficiency (η = 4.6%). Detailed physical measurements and theoretic calculations were conducted to understand the difference and reveal how three different donor structures affect their molecular orbital profile, light-harvesting ability, energy level alignment, and eventually the photovoltaic performance.

  5. Phosphine oxide derivatives as hosts for blue phosphors: A joint theoretical and experimental study of their electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dongwook; Salman, Seyhan; Coropceanu, Veaceslav; Salomon, Eric; Padmaperuma, Asanga B.; Sapochak, Linda S.; Kahn, Antoine; Bredas, Jean-Luc

    2010-01-12

    We report on a joint theoretical and experimental investigation of the electronic structure of a series of bis(diphenylphosphine oxide) derivatives containing a central aromatic core with high triplet energy. Such molecules can serve as host material in the emissive layer of blue electro-phosphorescent organic devices. The aromatic cores considered in the theoretical study consist of biphenyl, fluorene, dibenzofuran, dibenzothiophene, dibenzothiophenesulfone or carbazole, linked to the two phosphoryl groups in either para or meta positions. With respect to the isolated core molecules, it is found that addition of the diphenylphosphine oxide moieties has hardly any impact on the core geometry and only slightly reduces the energy of the lowest triplet state (by at most ~0.2 eV). However, the diphenylphosphine oxide functionalities significantly impact the ionization potential and electron affinity values, in a way that is different for para and meta substitutions. Excellent comparison is obtained between the experimental UPS and IPES spectra of the para biphenyl and meta dibenzothiophene and dibenzothiophenesulfone compounds and the simulated spectra. In general, the phosphine oxide derivatives present triplet energies that are calculated to be at least 0.2 eV higher than those of currently widely used blue phosphorescent emitters.

  6. Extraction of Pectin from Sugar Beet Pulp%甜菜压粕中果胶的提取工艺研究

    Institute of Scientific and Technical Information of China (English)

    王文婷; 朱思明; 陈志江; 杨永军; 高卫军; 于淑娟

    2011-01-01

    Pectin was extracted from the sugar beet pulp by using an acid extraction and alcohol precipitation technique. Ratio of gaining pectin for solid-to-liquid ratio, temperature, pH and time of extraction were discussed. The optimal conditions for the extraction were determined as solid-to-liquid ratio 1:20, temperature 90 ℃, pH 1.0 and time 3.5 h. In the best conditions, the average yield was 27.10%, with carbazole colorimetric determination of galacturonic acid content and pectin purity being of 17.82% and 65.76%, respectively.%探讨了料液比、提取温度、提取液pH值以及提取时间对酸提醇析法提取甜菜压粕中果胶得率的影响,结果表明,甜菜压粕中果胶的最佳提取工艺为:料液比1∶20,浸提温度90℃,提取液pH 1.0,提取时间3.5 h;在最佳条件下,果胶平均得率为27.10%,用咔唑比色法测定半乳糖醛酸的含量为17.82%,果胶纯度为65.76%.

  7. National Institute for Petroleum and Energy Research quarterly technical report, January 1--March 31, 1990

    Energy Technology Data Exchange (ETDEWEB)

    1990-04-19

    Fuels research is discussed in the following areas: (1) Department of Analytical Methodology for Analysis of Heavy Crudes; and (2) thermochemistry and thermophysical properties of organic nitrogen-, and diheteroatom-containing compounds. This quarter for project (1), inspection analysis of five 1000{degree}F+ resids employed in the carbonization study were completed. Also, subfractionation of Cerro Negro neutrals fraction was carried out. Progress on Project 2 consisted of: a thermodynamic analysis for the key hydrogen-consuming steps in the hydrodenitrogenation (HDN) reaction network for quinoline; heat-capacity and enthalpy measurements were completed for the diheteroatom-containing compound, thianthrene. Following completion measurements on thianthrene, the heat capacity of the empty calorimeter was determined, and in another calorimeter, heat-capacity and enthalpy studies were started on benzoxazole. Methods to convert benzoxazole to its low-temperature form were developed, and measurements were completed between 80 and 240 K; and high-temperature heat capacities were determined for phenoxathin and carbazole. 1 ref., 14 figs., 11 tabs.

  8. Macroscopic birefringence in liquid crystals from novel cyanobacterial polysaccharide with an extremely high molecular weight

    Science.gov (United States)

    Okajima-Kaneko, Maiko; Hayasaka-Kaneko, Daisaku; Miyazato, Shinji; Kaneko, Tatsuo

    2007-05-01

    We report an efficient method for extraction of anionic polysaccharides (PS) from cyanobacteria, Aphanothece sacrum; we used a hot alkaline solution (0.01 N NaOH) as an elution solvent in the first step of the extraction and isopropanol as a precipitation solvent in the last step. Thin fibers of PS were obtained at a high yield (50-80 % to the weight of the raw cyanobacterial sample). The spectroscopy and elemental analyses indicated the PS contains fucose, uronic acids (14.2 % by a carbazole-sulfuric acid method), a sugar unit containing amides. The solution of PS with a concentration of 1 wt% showed a very high viscosity (80 000cps) implying a high molecular weight, and a strong macroscopic birefringence with a texture typical of nematic liquid crystals was confirmed by crossed-polarizing microscopy (more than 0.5 wt%). The PS from A. sacrum may form a special structure rigid-rod enough to show LC phase and macroscopic birefringence.

  9. Reactivity and Synthetic Applications of 4,5-Dicyanopyridazine: An Overview

    Directory of Open Access Journals (Sweden)

    Donatella Giomi

    2010-03-01

    Full Text Available Despite the poor reputation of electron-deficient pyridazines in intermolecular Hetero Diels-Alder (HDA reactions, 4,5-dicyanopyridazine (DCP showed a surprising reactivity as a heterocyclic azadiene in inverse electron-demand HDA processes with different dienophiles. The use of alkenes, alkynes and enamines as 2p electron counterparts afforded dicyanocyclohexa-1,3-dienes and substituted phthalonitriles, respectively, while the use of suitable bis-dienophiles provides a general strategy for the one-pot synthesis of polycyclic carbo- and hetero-cage systemsthrough pericyclic three-step homodomino processes. HDA reactions with heterocyclic dienophiles allowed direct benzoannelation: in particular, pyrrole and indole derivatives were converted to dicyano-indoles and -carbazoles. In addition an unprecedented reactivity of DCP as a very reactive heterocyclic electrophile at the C-4 carbon was also evidenced: by changing the experimental conditions, cyanopyrrolyl- and cyanoindolyl-pyridazines were obtained through reactions of pyrrole and indole systems as carbon nucleophiles in formal SNAr2 processes where a CN group of DCP acts as leaving group. Thus, careful control of the reaction conditions allows exploitation of both pathways for the synthesis of different classes of heterocyclic derivatives.

  10. Studies on Tinospora cordifolia monosugars and correlation analysis of uronic acids by spectrophotometric methods and GLC.

    Science.gov (United States)

    Kumar, Vineet; Nagar, Shipra

    2014-01-01

    Cold water-soluble (CWSP) and hot water soluble polysaccharides (HWSP) from Tinospora cordifolia stems were isolated and purified in 2.99% and 1.99% yield respectively. Complete hydrolysis followed by paper chromatography and GLC analysis indicated the presence of L-rhamnose, L-arabinose, D-xylose, D-mannose, D-galactose and D-glucose in molar ratio of 0.857, 1.106, 0.727, 0.526, 0.708 and 95.763 in CWSP and 0.697, 0.777, 2.048, 0.777, 0.292 and 95.408 in HWSP. The uronic acid content in the polysaccharide has been studied extensively using assorted approaches. It was quantitatively estimated by GLC analysis and spectrophotometric methods using carbazole, m-hydroxydiphenyl and 3,5-dimethylphenol as colorimetric reagents. GLC analyses indicated galacturonic acid content of 3.06% and 5.16% in CWSP and HWSP respectively. Estimation of uronic acid using 3,5-dimethylphenol corroborated the above analysis. The study resulted in composition of constituent monosugars of CWSP and HWSP and co-relation analysis of uronic acid content, leading to an unambiguous structural analysis. PMID:24274509

  11. Bridged bis-BODIPYs: their synthesis, structures and properties.

    Science.gov (United States)

    Kesavan, Praseetha E; Das, Sudipta; Lone, Mohsin Y; Jha, Prakash C; Mori, Shigeki; Gupta, Iti

    2015-10-21

    A series of bis-BODIPYs 1-6 bridged via thiophene, furan, N-alkylcarbazole, triphenyl-amine, para- and meta-phenylene groups have been synthesized and characterized by various spectroscopic techniques. The change in the spectroscopic properties of bis-BODIPYs upon varying the size of spacers was studied. X-ray crystal structures of three bis-BODIPYs containing triphenylamine, para- and meta-phenylene bridges were solved. Intermolecular C(H)π and ππ stacking interactions were observed in solid state structures of three bis-BODIPYs. The dihedral angles between the spacer unit and two boron-dipyrrin units were lower in all three compounds as compared to their corresponding monomers. This suggests increased interactions between the two boron-dipyrrin units in molecules which are in turn reflected in the anodic shifts in their reduction potentials. DFT studies indicated effective electronic interactions between spacers and two boron dipyrrin units in all the bis-BODIPYs. The calculated HOMO-LUMO gap was found to be lower for bis-BODIPY having bulky carbazole spacers and higher for bis-BODIPY having smaller furan spacers. Changing the spacer size clearly affected the spectroscopic properties of the bis-BODIPYs and red shifted absorption and emission maxima were observed for bis-BODIPYs with furan and thiophene spacers as compared to bis-BODIPYs with phenylene or bulky aromatic spacers. PMID:26373792

  12. SMALL SCALE PRODUCTION AND CHARACTERIZATION OF ALGINATE FROM AZOTOBACTER CHROOCOCCUM USING DIFFERENT SUBSTRATES UNDER VARIOUS STRESS CONDITIONS

    Directory of Open Access Journals (Sweden)

    Gayathri Pandurangan

    2013-03-01

    Full Text Available Alginates form an important family of biopolymers. These are linear polysaccharides composed of variable amounts of (1–4-β-D-mannuronic acid and its epimer, α-L-guluronic acid. Currently, commercial alginates are extracted from marine brown algae. Considering the merits of bacterial alginates, optimal fermentation conditions aiming at the maximization of alginate using bacterium Azotobacter chroococcum from different substrates were examined. Whey, molasses, ammonium nitrate, starch, yeast extract, butanol, mannitol, and glucose have been used. The alginate obtained from whey (45.15%, ammonium nitrate (46.02% and butanol (47.3% varied. Among the physical stress conditions, the production of alginate was maximum at heat shock 50 0C for 30min (42.96% followed by 41.29% on UV radiation for 10 min. At pH 7 and 8 the alginate produced was 44.63% and 46.64% respectively. Carbazole reagent was used to recognize alginate; it was lyophilized and quantitated by gas chromatography.

  13. Synthesis, cytostatic evaluation and structure activity relationships of novel bis-indolylmethanes and their corresponding tetrahydroindolocarbazoles.

    Science.gov (United States)

    El Sayed, Mardia T; Ahmed, Khadiga M; Mahmoud, Kazem; Hilgeroth, Andreas

    2015-01-27

    BIMs (bis-indolylmethanes) (1a-n) were synthesized using glacial acetic acid as a protic acid for promotion of the condensation reaction of indoles with aldehydes in high yields (86-98 %). Corresponding tetrahydroindolo[2,3-b]carbazoles (2a-m) were synthesized via condensation of BIMs with aldehydes. Ten synthesized compounds have been submitted to the national cancer institute in the USA where all the submitted samples have been selected for one dose screening. As a result of the one dose screening of BIMs (1e,f,h,i,n) and of the indolocarbazoles (2e,f,h,i,j) the average highest cytostatic effects was recorded here for the BIM 1h and the indolocarbazole (2e) that showed the lowest mean values of "47.39%" and of "21.63%" respectively. Both compounds (1h and 2e) were further tested in five dose screening with the tested substance (1h) being significantly more sensitive for several cancers cell line as corresponding to their GI50 values. Furthermore, the basically substituted derivative 2e showed the highest antipoliferative activity in a nanomolar scale towards the three selected cancers cell lines Non small lung cell NCI-H460 with GI50 "616 nM", Ovarian Cancer cell line OVCAR-4 with GI50 "562 nM" and Breast Cancer cell line MCF7 with GI50 "930 nM".

  14. Electrospinning fabrication and oxygen sensing properties of Cu(I) complex-polystyrene composite microfibrous membranes

    Energy Technology Data Exchange (ETDEWEB)

    Wang Liyan, E-mail: wanglykmmc@163.co [Department of Orthodontics, School of Stomatology, Fourth Military Medical University, XiAn (China); Xu Yun [Department of Orthodontics, School of Stomatology, KunMing Medical College, Kunming (China); Lin Zhu [Department of Orthodontics, School of Stomatology, Fourth Military Medical University, XiAn (China); Zhao Ning [Department of Orthodontics, School of Stomatology, West China College, SiChuan University, ChengDu (China); Xu Yanhua [Department of Orthodontics, School of Stomatology, KunMing Medical College, Kunming (China)

    2011-07-15

    In this paper, a phosphorescent Cu(I) complex of [Cu(POP)(ECI-Phen)]BF{sub 4}, where POP=bis[2-(diphenylphosphino)phenyl]ether, and ECI-Phen=1-ethyl-2-(N-ethyl-carbazole-yl-4-)imidazo[4,5-f]1,10-phenanthroline, is incorporated into a polystyrene matrix of polystyrene (PS) to form microfibers membranes. The possibility of using the resulted composite microfibrous membranes as an optical oxygen sensor is explored. Good linearity and short response time are obtained with a sensitivity of 9.8. These results suggest that phosphorescent [Cu(POP)(ECI-Phen)]BF{sub 4} is a promising candidate for oxygen-sensors and PS is an excellent matrix for oxygen sensing material because it owns a large surface-area-to-volume ratio and can supply a homogeneous matrix for probe molecules. Further analysis suggests that the molecular structure of diamine ligand in Cu(I) complexes is critical for sensitivity due to the characteristic electronic structure of excited state Cu(I) complexes. - Highlights: {yields} Cu(I) complex is incorporated into polystyrene matrix to form nanofibers. {yields} Resulted sample exhibit good linearity and short response time. {yields} PS is an excellent matrix for oxygen sensing material for probe molecules. {yields} Molecular structure of diamine ligand is critical for sensitivity.

  15. Alkyl chain length-dependent surface reaction of dodecahydro-N-alkylcarbazoles on Pt model catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Gleichweit, Christoph; Amende, Max; Bauer, Udo; Schernich, Stefan; Höfert, Oliver; Lorenz, Michael P. A.; Zhao, Wei; Bachmann, Philipp; Papp, Christian, E-mail: christian.papp@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen (Germany); Müller, Michael; Koch, Marcus [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen (Germany); Wasserscheid, Peter [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen (Germany); Erlangen Catalysis Resource Center, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen (Germany); Libuda, Jörg; Steinrück, Hans-Peter [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen (Germany); Erlangen Catalysis Resource Center, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen (Germany)

    2014-05-28

    The concept of liquid organic hydrogen carriers (LOHC) holds the potential for large scale chemical storage of hydrogen at ambient conditions. Herein, we compare the dehydrogenation and decomposition of three alkylated carbazole-based LOHCs, dodecahydro-N-ethylcarbazole (H{sub 12}-NEC), dodecahydro-N-propylcarbazole (H{sub 12}-NPC), and dodecahydro-N-butylcarbazole (H{sub 12}-NBC), on Pt(111) and on Al{sub 2}O{sub 3}-supported Pt nanoparticles. We follow the thermal evolution of these systems quantitatively by in situ high-resolution X-ray photoelectron spectroscopy. We show that on Pt(111) the relevant reaction steps are not affected by the different alkyl substituents: for all LOHCs, stepwise dehydrogenation to NEC, NPC, and NBC is followed by cleavage of the C–N bond of the alkyl chain starting at 380–390 K. On Pt/Al{sub 2}O{sub 3}, we discern dealkylation on defect sites already at 350 K, and on ordered, (111)-like facets at 390 K. The dealkylation process at the defects is most pronounced for NEC and least pronounced for NBC.

  16. High-efficiency diphenylsulfon derivative-based organic light-emitting diode exhibiting thermally-activated delayed fluorescence

    Science.gov (United States)

    Lee, Geon Hyeong; Kim, Young Sik

    2016-08-01

    A novel thermally-activated delayed fluorescence (TADF) material with diphenyl sulfone (DPS) as an electron acceptor and 3,6-dimethoxycarbazole (DMOC) and 1,3,6,8-Tetramethyl-9H-carbazole (TMC) as electron donors was investigated theoretically for a blue organic light emitting diode (OLED) emitter. We calculated the energies of the first singlet (S1) and the first triplet (T1) excited states of the TADF materials by using the dependence on the charge transfer amounts for the optimal Hartree-Fock percentage in the exchange-correlation of TD-DFT to perform density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations on the ground state. The calculated Δ E ST value, where Δ E ST is the difference in energy between the S1 and T1 states, of TMC-DPS (0.094 eV) was smaller than DMOC-DPS (0.386 eV) because of the large dihedral angles between the donor and the accepter moieties. We show that TMC-DPS would be a suitable blue OLED emitter because it has a large dihedral angle that creates a small spatial overlap between the highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO), consequently, it has a small value of Δ E ST and an emission wavelength of 2.82 eV and 439.9 nm, respectively.

  17. Using cyclopenta[2,1-b:3,4-c']dithiophene-4-one as a building block for low-bandgap conjugated copolymers applied in solar cells.

    Science.gov (United States)

    Zhang, Wei; Cao, Jiamin; Liu, Ying; Xiao, Zuo; Zhu, Weiguo; Zuo, Qiqun; Ding, Liming

    2012-09-26

    A novel electron-accepting unit cyclopenta[2,1-b:3,4-c']dithiophene-4-one (CPDTO-c'), which is an isomer of CPDTO-b' was developed. CPDTO-c' can be incorporated into the D-A backbone through 5, 7 positions. The 2 position of CPDTO-c' can be easily functionalized with an electron-withdrawing chain. By copolymerizing CPDTO-c' with four different donor units: benzo[1,2-b:4,5-b']dithiophene (BDT), dithieno[3,2-b:2',3'-d]silole (DTS), carbazole, and fluorene, four new conjugated copolymers P1-P4 were obtained. All these polymers have good solubility and low-lying HOMO energy levels (-5.41 ∼ -5.92 eV). Among them, P1 and P2 exhibit broad absorption and narrow optical bandgaps of 1.91 and 1.72 eV, respectively. Solar cells based on P1/PC(71) BM afforded a PCE up to 2.72% and a high V(oc) up to ∼0.9 V.

  18. Terahertz Spectroscopic Identification with Deep Belief Network%基于深层信念网络的太赫兹光谱识别

    Institute of Scientific and Technical Information of China (English)

    马帅; 沈韬; 王瑞琦; 赖华; 余正涛

    2015-01-01

    特征提取和分类是太赫兹光谱识别的关键。部分物质在太赫兹波段内没有明显的吸收峰,难以人工定义、提取特征及分类识别,为此,结合深度信念网络(deep belief network ,DBN)和K-Nearest Neighbors (KNN)分类器的优点,提出了一种基于DBN的太赫兹光谱识别方法。首先利用S-G滤波和三次样条插值对ATP ,acetylcholine-bromide ,bifenthrin ,buprofezin ,carbazole ,bleomycin ,buckminster 和 cylotriphosp-hazene在0.9~6 THz内的太赫兹透射光谱进行归一化处理;然后由两层受限波尔兹曼机(restricted Boltz-mann machine ,RBM )构建DBN模型,并采用逐层无监督的方法训练模型,以自动提取太赫兹光谱特征;最后用KNN分类器对8种物质的太赫兹透射光谱进行分类。结果表明,使用DBN 自动提取的光谱特征, KNN分类器、BP神经网络、SOM神经网络和RBF神经网络的分类准确率达到了90%以上,且KNN分类器的识别率优于其他三种分类器;采用DBN自动提取物质的太赫兹光谱特征大大减少了工作量,在海量光谱数据识别中具有广阔的应用前景。%Feature extraction and classification are the key issues of terahertz spectroscopy identification .Because many materials have no apparent absorption peaks in the terahertz band ,it is difficult to extract theirs terahertz spectroscopy feature and identi-fy .To this end ,a novel of identify terahertz spectroscopy approach with Deep Belief Network (DBN) was studied in this paper , which combines the advantages of DBN and K-Nearest Neighbors (KNN) classifier .Firstly ,cubic spline interpolation and S-G filter were used to normalize the eight kinds of substances (ATP ,Acetylcholine-Bromide ,Bifenthrin ,Buprofezin ,Carbazole , Bleomycin ,Buckminster and Cylotriphosphazene) terahertz transmission spectra in the range of 0.9~ 6 THz .Secondly ,the DBN model was built by two restricted Boltzmann machine

  19. Efficient ternary organic photovoltaics incorporating a graphene-based porphyrin molecule as a universal electron cascade material

    Science.gov (United States)

    Stylianakis, M. M.; Konios, D.; Kakavelakis, G.; Charalambidis, G.; Stratakis, E.; Coutsolelos, A. G.; Kymakis, E.; Anastasiadis, S. H.

    2015-10-01

    A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric-acid-methyl-ester (PC71BM) as an electron acceptor material and two different polymer donor materials, poly[N-9'-hepta-decanyl-2,7-carbazole-alt-5,5-(40,70-di-2-thienyl-20,10,30-benzothiadiazole)] (PCDTBT) and the highly efficient poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7), were fabricated. The addition of GO-TPP into the active layer implies continuous percolation paths between the D-A interfaces, enhancing charge transport, reducing exciton recombination and thus improving the photovoltaic performance of the device. A simultaneous increase of short circuit current density (Jsc), open-circuit voltage (Voc) and fill factor (FF), compared to the PTB7:PC71BM reference cell, led to an improved power conversion efficiency (PCE) of 8.81% for the PTB7:GO-TPP:PC71BM-based device, owing mainly to the more efficient energy level offset between the active layer components.A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric

  20. Molecular Engineering, Photophysical and Electrochemical Characterizations of Novel Ru(II) and BODIPY Sensitizers for Mesoporous TiO2 Solar Cells

    Science.gov (United States)

    Cheema, Hammad Arshad

    precludes coplanarity of the naphthalene moiety, thus decreasing the extracted photocurrent response from solar device. The findings were published in Dyes and Pigments (doi:10.1016/j.dyepig.2014.08.005). For HD-7 and HD-8, intriguing difference caused by structural isomerization based on anthracene and phenanthrene stilbazole type ancillary ligands, respectively in Ru (II) sensitizers was investigated using femtosecond transient absorption spectroscopy. It was found that the excited electrons in HD-7 are prone to ISC (intersystem crossing) much more than that in HD-8 and those triplet electrons are not being injected in TiO2 efficiently as discussed in Chapter 5. To achieve long term stability, we combined the strong electron donor characteristics of carbazole and the hydrophobic nature of long alkyl chains, C7 (HD-14 ), C18 (HD-15) and C2 (NCSU-10), tethered to N-carbazole. HD-15 showed strikingly good long term light soaking stability and maintained up to 98% of initial efficiency value compared to 92% for HD-14 and 78% for NCSU-10, as discussed in Chapter 6. Boron dipyromethene (BODIPY) dyes HB-1, HB-2 and HB-3 were synthesized and fully characterized for dye solar cells. It was found that having long alkyl chains tethered to the donor groups alone are not sufficient for achieving highly efficient photovoltaic response from BODIPY dyes (Chapter 7). Thus, replacement of fluorines from BODIPY core with long alkoxy chains has been suggested for future work.

  1. Oxidative desulfurization and denitrogenation of a light gas oil using an oxidation/adsorption continuous flow process

    Energy Technology Data Exchange (ETDEWEB)

    Ishihara, Atsushi; Wang, Danhong; Dumeignil, Franck; Amano, Hiroshi; Qian, Eika Weihua; Kabe, Toshiaki [Department of Chemical Engineering, Tokyo University of Agriculture and Technology, 2-24-16 Nakacho, Koganei, Tokyo 184-8588 (Japan)

    2005-01-28

    The oxidation of undesirable sulfur compounds present in a desulfurized light gas oil (LGO; sulfur content: 39ppm) was performed with tert-butyl hydroperoxide (t-BuOOH) as the oxidant in the presence of a 16wt.% MoO{sub 3}/Al{sub 2}O{sub 3} catalyst. The oxidation activity of the sulfur compounds in the light gas oil increased when the O/S molar ratio increased up to 15; the activity slightly decreased for higher ratios. This optimal ratio was significantly higher than the stoichiometric one (=2) due to parallel oxidation reactions of olefins, etc., in the LGO. Further, we compared the oxidation reactivity of dibenzothiophene (DBT), 4,6-dimethyldibenzothiophene (4,6-DMDBT), and trimethyldibenzothiophene (C{sub 3}-DBT), which are refractory compounds present in the light gas oil. The reactivity decreased in the order DBT|4,6-DMDBT>C{sub 3}-DBT, irrespective of the WHSV and the temperature. Subsequent mathematical treatment revealed that the oxidative reaction of each sulfur compound follows a first-order kinetics. We found an activation energy of 32+/-2kJmol{sup -1}, whatever the compound, suggesting that the oxidation mechanism was the same for these compounds. Then, according to the proposed global process, the previously oxidized molecules in the treated light gas oil were further removed by adsorption over a silica gel at ambient temperature. As a result, the total sulfur content could be decreased after oxidation/adsorption to less than 5ppm. Further, N-containing model compounds were also treated according to the same procedure and the denitrogenation performance decreased in the order indole>quinoline>acridine>carbazole. Subsequently, the same process allowed decreasing the N content in the LGO from an initial value of 13.5ppm to a value of 0.8ppm, which is a remarkable result.

  2. Probing the Carbonyl Functionality of a Petroleum Resin and Asphaltene through Oximation and Schiff Base Formation in Conjunction with N-15 NMR.

    Directory of Open Access Journals (Sweden)

    Kevin A Thorn

    Full Text Available Despite recent advances in spectroscopic techniques, there is uncertainty regarding the nature of the carbonyl groups in the asphaltene and resin fractions of crude oil, information necessary for an understanding of the physical properties and environmental fate of these materials. Carbonyl and hydroxyl group functionalities are not observed in natural abundance 13C nuclear magnetic resonance (NMR spectra of asphaltenes and resins and therefore require spin labeling techniques for detection. In this study, the carbonyl functionalities of the resin and asphaltene fractions from a light aliphatic crude oil that is the source of groundwater contamination at the long term USGS study site near Bemidji, Minnesota, have been examined through reaction with 15N-labeled hydroxylamine and aniline in conjunction with analysis by solid and liquid state 15N NMR. Ketone groups were revealed through 15N NMR detection of their oxime and Schiff base derivatives, and esters through their hydroxamic acid derivatives. Anilinohydroquinone adducts provided evidence for quinones. Some possible configurations of the ketone groups in the resin and asphaltene fractions can be inferred from a consideration of the likely reactions that lead to heterocyclic condensation products with aniline and to the Beckmann reaction products from the initially formed oximes. These include aromatic ketones and ketones adjacent to quaternary carbon centers, β-hydroxyketones, β-diketones, and β-ketoesters. In a solid state cross polarization/magic angle spinning (CP/MAS 15N NMR spectrum recorded on the underivatized asphaltene as a control, carbazole and pyrrole-like nitrogens were the major naturally abundant nitrogens detected.

  3. Direct comparative study on the energy level alignments in unoccupied/occupied states of organic semiconductor/electrode interface by constructing in-situ photoemission spectroscopy and Ar gas cluster ion beam sputtering integrated analysis system

    International Nuclear Information System (INIS)

    Through the installation of electron gun and photon detector, an in-situ photoemission and damage-free sputtering integrated analysis system is completely constructed. Therefore, this system enables to accurately characterize the energy level alignments including unoccupied/occupied molecular orbital (LUMO/HOMO) levels at interface region of organic semiconductor/electrode according to depth position. Based on Ultraviolet Photoemission Spectroscopy (UPS), Inverse Photoemission Spectroscopy (IPES), and reflective electron energy loss spectroscopy, the occupied/unoccupied state of in-situ deposited Tris[4-(carbazol-9-yl)phenyl]amine (TCTA) organic semiconductors on Au (ELUMO: 2.51 eV and EHOMO: 1.35 eV) and Ti (ELUMO: 2.19 eV and EHOMO: 1.69 eV) electrodes are investigated, and the variation of energy level alignments according to work function of electrode (Au: 4.81 eV and Ti: 4.19 eV) is clearly verified. Subsequently, under the same analysis condition, the unoccupied/occupied states at bulk region of TCTA/Au structures are characterized using different Ar gas cluster ion beam (Ar GCIB) and Ar ion sputtering processes, respectively. While the Ar ion sputtering process critically distorts both occupied and unoccupied states in UPS/IPES spectra, the Ar GCIB sputtering process does not give rise to damage on them. Therefore, we clearly confirm that the in-situ photoemission spectroscopy in combination with Ar GCIB sputtering allows of investigating accurate energy level alignments at bulk/interface region as well as surface region of organic semiconductor/electrode structure.

  4. Speciation of nitrogen-containing compounds in an unfractionated coal tar sample by comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry.

    Science.gov (United States)

    da Silva, Juliana M; Machado, Maria Elisabete; Maciel, Gabriela P S; Dal Molin, Daniela; Caramão, Elina B

    2014-12-19

    Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC/TOFMS) has shown great skill in analyzing complex mixtures such as fossil fuels, especially for compounds at low concentrations. The analysis of N-polyaromatic compounds (NPAC) in coal and crude oil is a great challenge for analytical chemistry due to its environmental and technological importance, and also its diversity of concentration in the matrix. This study is the first report in the applicability of GC×GC/TOFMS for detection of NPAC in a coal tar sample with no fractionation. Normally these compounds are analyzed after sample treatment, making the process expensive and time consuming. However, the higher separation power of GC×GC/TOFMS, compared to 1D-GC, produces cleaner mass spectra in complex samples, which helps in identification of analytes with no pre-fractionation. In this paper, the main objectives were to demonstrate the applicability of GC×GC/TOFMS in the speciation and separation between basic and neutral NPAC from coal tar sample derived from fast pyrolysis, without prior sample fractionation. The methodology used here consisted of chromatographic injection of the diluted sample using a conventional columns set and data analysis by ChromaTOF/Excel™ software. Some basic compounds (pyridines and quinolines) and neutral ones (carbazoles and indoles) were detected with good chromatographic separation and spectral similarity. Tools like spectral deconvolution, extracted ion chromatogram (EIC) and dispersion graphics allowed greater security on the identification and separation of NPAC in this complex sample of coal tar, with no pre-treatment.

  5. Photophysical study of blue-light excitable ternary Eu(III) complexes and their encapsulation into polystyrene nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Räsänen, Markus, E-mail: mpvras@utu.fi [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland); Takalo, Harri [DHR Finland Oy, Innotrac Diagnostics, Biolinja 12, FIN-20750 Turku (Finland); Soukka, Tero [Department of Biochemistry/Biotechnology, University of Turku, FIN-20014 Turku (Finland); Haapakka, Keijo; Kankare, Jouko [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland)

    2015-04-15

    In this work, 14 ternary Eu(III) complexes were studied by means of spectroscopy. The studied Eu(III) complexes consisted of Lewis bases (4′-(4-diethylaminophenyl)-2,2′:6′,2″-terpyridine (L{sup 8}) or 1,10-phenanthroline (L{sup 9})) and differently substituted β-diketones. The ternary complexes with L{sup 8} show the excitation peak at 405 nm and the quantum yield even 76%. The brightest ternary complex at the 405 nm excitation was Eu(L{sup 3}){sub 3}L{sup 8} while Eu(L{sup 7}){sub 3}L{sup 8} (HL{sup 3}=4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione, HL{sup 7}=1-(9-ethyl-9H-carbazol-3-yl)-4,4,5,5,5-pentafluoro-1,3-pentanedione) was found to be the brightest at the ligand-centred excitation maximum. The ternary complexes were studied mainly in toluene as the model environment for the polystyrene nanoparticle cavities. The complexes were successfully loaded into the polystyrene nanoparticles enabling their bioanalytical application in aqueous environment. The encapsulation of the complexes preserved, or even enhanced, their good photophysical features. - Highlights: • Ternary Eu{sup 3+} complexes with some β-diketone and substituted terpyridine were studied. • Ternary complexes with substituted terpyridine showed blue-light excitability. • Ternary complexes were successfully loaded into the polystyrene nanoparticles. • Encapsulation of the complexes preserved their good photophysical features.

  6. Effect of Y220C mutation on p53 and its rescue mechanism: a computer chemistry approach.

    Science.gov (United States)

    Rauf, Shah Md Abdur; Endou, Akira; Takaba, Hiromitsu; Miyamoto, Akira

    2013-01-01

    Mutation causes inactivation of 'p53' tumor suppressor protein in almost fifty percent of cancers in humans. Outside the DNA-binding surface of p53, Y220C is the most common cancerous mutation. Previous studies have shown that a surface cavity is created by this mutation which destabilizes p53. PhiKan083, a carbazole derivative capable of binding with that cavity, and slows down its thermal denaturation rate. We investigated, theoretically, on mechanisms of structural stability loss due to Y220C mutation and mechanisms of stability restoration by PhiKan083 at the atomic level. From this study it is found that in Tp53C, Tyr220 has five electrostatic interactions with residues Val 147, Prol51, Pro153 and Pro223 located on S3/S4 loop and S7/S8 loop. The S7/S8 loop is stabilized by these electrostatic interactions. Due to the Y220C mutation all these electrostatic interactions are lost. As a result the structural fluctuation occurs at S7/S8 loop, and the loop is displaced from its original position after 6 ns MD simulation. When PhiKan083 is present (inserted) at the mutation site it provides five electrostatic interactions with Pro155, Glu221 and Thr230, and two hydrogen bonds with Leu145 and Asp228, respectively. These interactions provided by Pkikan083 stabilized the S7/S8 loop, and as a result it couldn't be displaced. Our results showed that due to Y220C mutation p53 became destabilized through structural fluctuations surrounding the mutation site. When PhiKan083 is present at the Y220C mutation site (in 2vuk), it provides electrostatic and hydrogen bonding interactions among residue-220, its neighboring residues and PhiKan08. These interactions give additional stability to Y220C mutant p53, thus Y220C mutant p53 doesn't destabilize.

  7. Biological testing and chemical analysis of process materials from an integrated two stage coal liquefaction: a status report

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, B.W.; Buhl, P.; Moroni, E.C.

    1983-07-01

    Samples for chemical characterization and biological testing were obtained from ITSL runs 3LCF7, 3LCF8 and 3LCF9. Chemical analysis of these materials showed that SCT products were composed of fewer compounds than analogous materials from Solvent Refined Coal (SRC) processes. Major components in the SCT materials were three-, four-, five- and six-ring neutral polycyclic aromatic hydrocarbons (PAH). Methyl(C/sub 1/) and C/sub 2/ homologs of these compounds were present in relatively low concentrations, compared to their non-alkylated homologs. Organic nitrogen was primarily in the form of tertiary polycyclic aromatic nitrogen heterocycles and carbazoles. Little or no amino PAH (APAH) or cyano PAH were detected in samples taken during normal PDU operations, however, mutagenic APAH were produced during off-normal operation. Microbial mutagenicity appeared to be due mainly to the presence of APAH which were probably formed in the LC finer due to failure of the catalyst to promote deamination following carbon-nitrogen bond scission of nitrogen-containing hydroaromatics. This failure was observed for the off-normal runs where it was likely that the catalyst had been deactivated. Carcinogenic activity of ITSL materials as assessed by (tumors per animal) in the initiation/promotion mouse skin painting assay was slightly reduced for materials produced with good catalyst under normal operation compared to those collected during recycle of the LC Finer feed. Initiation activity of the latter samples did not appear to be significantly different from that of other coal derived materials with comparable boiling ranges. The observed initiation activity was not unexpected, considering analytical data which showed the presence of four-, five- and six-ring PAH in ITSL materials.

  8. Activation of the aryl hydrocarbon receptor affects activation and function of human monocyte-derived dendritic cells.

    Science.gov (United States)

    Wang, C; Ye, Z; Kijlstra, A; Zhou, Y; Yang, P

    2014-08-01

    Aryl hydrocarbon receptor (AhR) is well known for mediating the toxic effects of dioxin-containing pollutants, but has also been shown to be involved in the natural regulation of the immune response. In this study, we investigated the effect of AhR activation by its endogenous ligands 6-formylindolo[3,2-b]carbazole (FICZ) and 2-(1'H-indole-3'-carbonyl)-thiazole-4-carboxylic acid methyl ester (ITE) on the differentiation, maturation and function of monocyte-derived DCs in Behçet's disease (BD) patients. In this study, we showed that AhR activation by FICZ and ITE down-regulated the expression of co-stimulatory molecules including human leucocyte antigen D-related (HLA-DR), CD80 and CD86, while it had no effect on the expression of CD83 and CD40 on DCs derived from BD patients and normal controls. Lipopolysaccharide (LPS)-treated dendritic cells (DCs) from active BD patients showed a higher level of interleukin (IL)-1β, IL-6, IL-23 and tumour necrosis factor (TNF)-α production. FICZ or ITE significantly inhibited the production of IL-1β, IL-6, IL-23 and TNF-α, but induced IL-10 production by DCs derived from active BD patients and normal controls. FICZ or ITE-treated DCs significantly inhibited the T helper type 17 (Th17) and Th1 cell response. Activation of AhR either by FICZ or ITE inhibits DC differentiation, maturation and function. Further studies are needed to investigate whether manipulation of the AhR pathway may be used to treat BD or other autoimmune diseases.

  9. Microlens array induced light absorption enhancement in polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yuqing [Ames Laboratory; Elshobaki, Moneim [Iowa State University; Ye, Zhuo [Ames Laboratory; Park, Joong-Mok [Ames Laboratory; Noack, Max A. [Iowa State University; Ho, Kai-Ming [Ames Laboratory; Chaudhary, Sumit [Ames Laboratory

    2013-01-24

    Over the last decade, polymer solar cells (PSCs) have attracted a lot of attention and highest power conversion efficiencies (PCE) are now close to 10%. Here we employ an optical structure – the microlens array (MLA) – to increase light absorption inside the active layer, and PCE of PSCs increased even for optimized devices. Normal incident light rays are refracted at the MLA and travel longer optical paths inside the active layers. Two PSC systems – poly(3-hexylthiophene-2,5-diyl):(6,6)-phenyl C61 butyric acid methyl ester (P3HT:PCBM) and poly[[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl]:(6,6)-phenyl C71 butyric acid methyl ester (PCDTBT:PC70BM) – were investigated. In the P3HT:PCBM system, MLA increased the absorption, absolute external quantum efficiency, and the PCE of an optimized device by [similar]4.3%. In the PCDTBT:PC70BM system, MLA increased the absorption, absolute external quantum efficiency, and PCE by more than 10%. In addition, simulations incorporating optical parameters of all structural layers were performed and they support the enhancement of absorption in the active layer with the assistance of MLA. Our results show that utilizing MLA is an effective strategy to further increase light absorption in PSCs, in which optical losses account for [similar]40% of total losses. MLA also does not pose materials processing challenges to the active layers since it is on the other side of the transparent substrate.

  10. 2,3-Dihydroxybiphenyl dioxygenase gene was first discovered in Arthrobacter sp. strain P J3

    Institute of Scientific and Technical Information of China (English)

    YANG MeiYing; MA PengDa; LI WenMing; LIU JinYing; LI Liang; ZHU XiaoJuan; WANG XingZhi

    2007-01-01

    Bacterium strain PJ3, isolated from wastewater and identified as Arthrobacter sp. bacterium based on its 16S rDNA gene, could use carbazole as the sole carbon, nitrogen and energy source. The genomic libraryof strain PJ3 was constructed and a positive clone JM109 (pUCW402) was screened out for the expression of dioxygenase by the ability to form yellow ring-fission product. A 2,3-dihydroxybiphenyl dioxygenase (23DHBD) gene of 933 bp was found in the 3360 bp exogenous fragment of pUCW402 by GenSCAN software and BLAST analysis. The phylogenetic analysis showed that 23DHBD from strain PJ3 formed a deep branch separate from a cluster containing most known 23DHBD in GenBank.Southern hybridization confirmed for the first time that the 23DHBD gene was from the genomic DNA of Arthrobacter sp. PJ3. In order to test the gene function, recombinant bacterium BL21 (pETW-8) was constructed to express 23DHBD. The expression level in BL21 (pETW-8) was highest compared with the recombinant bacteria JM109 (pUCW402) and strain PJ3. We observed that 23DHBD was not absolute specific. The enzyme activity was higher with 2,3-dihydroxybiphenyl as a substrate than with catechol.The substrate specificity assay suggested that 23DHBD was essential for cleavage of bi-cyclic aromatic compounds during the course of aromatic compound biodegradation in Arthrobacter sp. strain PJ3.

  11. Claulansine F promoted the neuronal differentiation of neural stem and progenitor cells through Akt/GSK-3β/β-catenin pathway.

    Science.gov (United States)

    Huang, Ju-Yang; Ma, Yin-Zhong; Yuan, Yu-He; Zuo, Wei; Chu, Shi-Feng; Liu, Hang; Du, Guan-Hua; Zhang, Dong-Ming; Chen, Nai-Hong

    2016-09-01

    The persistence of neurogenesis raises the idea that neurons produced by the resident or transplanted neural stem cells could replace the neurons lost from brain injury or neurodegenerative disease. Therefore, compounds or methods for promoting neuronal differentiation become the focus of neurodegenerative disease therapy research. Claulansine F (Clau F), a newly discovered carbazole alkaloid, has been showed to induce neuritogenesis in PC12 cells. Herein, we studied the effect of Clau F on neuronal differentiation of neural stem/progenitor cells (NS/PCs). The current study demonstrated that Clau F initiated neuronal differentiation with a significant increase of TuJ1-positive cells and TuJ1 protein levels. We also found that Clau F promoted the maturity and sustainability of neurons by increasing MAP2-positive cells and MAP2 protein levels. At the same time, Clau F significantly inhibited the proliferation of NS/PCs. The underlying mechanism of Clau F was preliminary explored. Clau F treatment resulted in a profound increase of phosphorylation of Akt and GSK-3β, which led to GSK-3β inhibition and subsequently the nuclear accumulation of β-catenin. Further, the interaction between β-catenin and p300 in the nucleus was enhanced and the transcription of p300/β-catenin responsive genes were increased significantly (c-jun, fra-1) by Clau F. Importantly, the positive effect of Clau F on neuronal differentiation was abolished by Akti-1/2, a specific inhibitor of Akt-1/2 kinase, which indicated the involvement of Akt/GSK-3β in Clau F-mediated neuronal differentiation. In conclusion, these data suggested that Clau F promoted neuronal differentiation through Akt/GSK-3β/β-catenin signaling pathway in NS/PCs. PMID:27179990

  12. Eco-friendly spray coating of organic solar cells through water-based nanoparticles ink (Presentation Recording)

    Science.gov (United States)

    Stryckers, Jeroen; D'Olieslaeger, Lien; Manca, Jean; Ethirajan, Anitha; Deferme, Wim

    2015-09-01

    Ultrasonic spray coating is currently proven to be a reliable, flexible and cost efficient fabrication method for printed electronics [1-2]. Ultrasonic nozzles are by design especially well-suited to deposit nano-suspension dispersions. Due to the ultrasonic vibration of the nozzle, droplets having a median diameter of 20 μm are created in a homogeneous droplet cloud and directed towards the substrate. When one prepares an ink having the right wetting properties, thin and homogeneous layers, fully covering the surface, can be achieved. Together with conjugated polymer nanoparticles (NPs), emerging as a new class of nanomaterials, [3] it opens possibilities towards eco-friendly roll-to-roll processing of state-of-the-art organic bulk heterojunction solar cells. A ultrasonic spray coater was used to print the conjugated polymer NP layers under different conditions. A first optimization of the spray coater settings (flow rate, spray speed and temperature) and the ink formulation (water and co-solvent mixture and NP content) was performed for polystyrene particles dissolved in a water-ethanol mixture. As a next step, the low bandgap donor polymer poly[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophene-diyl] (PCDTBT) [4] and the fullerene acceptor phenyl-C71-butyric acid methyl ester (PCBM[70]) were combined in a water-based blend NP dispersion which was prepared using the mini-emulsion technique. [5,6] Optical Microscopy, profilometry and Scanning Electron Microscopy (SEM) are performed to study the roughness, surface structure, thickness and coverage of the spray coated layers. Finally the printed NP layers are integrated in organic bulk heterojunction solar cells and compared to spin coated reference devices.

  13. Enhancement of contraction and L-type Ca(2+) current by murrayafoline-A via protein kinase C in rat ventricular myocytes.

    Science.gov (United States)

    Chidipi, Bojjibabu; Son, Min-Jeong; Kim, Joon-Chul; Lee, Jeong Hyun; Toan, Tran Quoc; Cuong, Nguyen Manh; Lee, Byung Ho; Woo, Sun-Hee

    2016-08-01

    We previously reported that murrayafoline-A (1-methoxy-3-methyl-9H-carbazole, Mu-A) increases the contractility of ventricular myocytes, in part, via enhancing Ca(2+) influx through L-type Ca(2+) channels, and that it increases the Ca(2+) transients by activation of protein kinase C (PKC). In the present study, we further examined the cellular mechanisms for the enhancement of contractility and L-type Ca(2+) current (ICa,L) by Mu-A. Cell shortening and ICa,L were measured in rat ventricular myocytes using a video edge detection method and perforated patch-clamp technique, respectively. We found that the positive inotropic effect of Mu-A was not affected by pre-exposure to the β-adrenoceptor antagonist propranolol, the protein kinase A (PKA) inhibitors KT5720 or H-89, or the phospholipase C inhibitor U73122. Interestingly, the Mu-A-mediated increases in cell shortening and in the rate of contraction were completely suppressed by pre-treatment with the PKC inhibitor GF109203X. The stimulatory effect of Mu-A on ICa,L was not altered by inhibition of PKA (KT5720), G-protein coupled receptors (suramin), or α1-adrenoceptor (prazosin). However, pre-exposure to the PKC inhibitor, GF109203X or chelerythrine, abolished the Mu-A-induced increase in ICa,L. Pre-exposure to the Ca(2+)-calmodulin-dependent protein kinase II (CaMKII) inhibitor KN93 slightly reduced the stimulatory effects on contraction and ICa,L by Mu-A. Phosphorylation of PKC was enhanced by Mu-A in ventricular myocytes. These data suggest that Mu-A increases contraction and ICa,L via PKC in rat ventricular myocytes, and that the PKC-mediated responses in the presence of Mu-A may be partly mediated by CaMKII.

  14. Towards highly efficient red thermally activated delayed fluorescence materials by the control of intra-molecular π-π stacking interactions

    Science.gov (United States)

    Zhang, Yunge; Zhang, Dongdong; Cai, Minghan; Li, Yilang; Zhang, Deqiang; Qiu, Yong; Duan, Lian

    2016-03-01

    Thermally activated delayed fluorescence (TADF) materials have attracted much attention as they can achieve 100% theoretical internal quantum efficiency without using expensive noble metals. However, efficient red TADF emitters are hard to realize according to the energy gap law. Here, three donor-acceptor-donor type TADF emitters with the same acceptor of o-phthalodinitrile (PN) but different donors (9, 9-dimethyl-9, 10-dihydroacridine (DMAC), phenoxazine (PXZ), and phenothiazine (PTZ) for DMAC-PN, PXZ-PN, and PTZ-PN, respectively) have been synthesized, and it is observed that the performance of the emitters can be improved by reducing the intra-molecular π-π stacking. DMAC-PN with reduced intra-molecular π-π stacking shows a photoluminescence quantum yield (PLQY) of 20.2% in degassed toluene solution, much higher than those of PXZ-PN, and PTZ-PN (0.8%, 0.2%, respectively). An organic light-emitting diode (OLED) employing DMAC-PN doped into 4,4‧-bis(9H-carbazol-9-yl)biphenyl (CBP) as the emitting layer exhibits a maximum external quantum efficiency (EQE) of 10.2% with the emission peak at 564 nm. Moreover, when DMAC-PN is doped into a polar host, bis[2-(diphenylphosphino)phenyl] ether oxide (DPEPO), the OLED shows a large redshift of the emission maximum to 594 nm, while maintaining a peak EQE as high as 7.2%, indicating that efficient red TADF OLEDs can be fabricated by doping orange TADF emitters into hosts with proper polarity.

  15. Protective efficacy of carnosic acid against hydrogen peroxide induced oxidative injury in HepG2 cells through the SIRT1 pathway.

    Science.gov (United States)

    Hu, Yan; Zhang, Ning; Fan, Qing; Lin, Musen; Zhang, Ce; Fan, Guangjun; Zhai, Xiaohan; Zhang, Feng; Chen, Zhao; Yao, Jihong

    2015-08-01

    Carnosic acid (CA), found in rosemary, has been reported to have antioxidant and antiadipogenic properties. Here, we investigate the molecular mechanism by which CA inhibits hydrogen peroxide (H2O2)-induced injury in HepG2 cells. Cells were pretreated with 2.5-10 μmol/L CA for 2 h and then exposed to 3 mmol/L H2O2 for an additional 4 h. CA dose-dependently increased cell viability and decreased lactate dehydrogenase activities. Pretreatment with CA completely attenuated the inhibited expression of manganese superoxide dismutase (MnSOD) and the B-cell lymphoma-extra large (Bcl-xL), and reduced glutathione activity caused by H2O2, whereas it reversed reactive oxygen species accumulation and the increase in cleaved caspase-3. Importantly, sirtuin 1 (SIRT1), a NAD(+)-dependent deacetylase, was significantly increased by CA. Considering the above results, we hypothesized that SIRT1 may play important roles in the protective effects of CA in injury induced by H2O2. As expected, SIRT1 suppression by Ex527 (6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide) and siRNA-mediated SIRT1 silencing (si-SIRT1) significantly aggravated the H2O2-induced increased level of cleaved caspase-3 but greatly reduced the decreased expression of MnSOD and Bcl-xL. Furthermore, the positive regulatory effect of CA was inhibited by si-SIRT1. Collectively, the present study indicated that CA can alleviate H2O2-induced hepatocyte damage through the SIRT1 pathway. PMID:26059423

  16. CO{sub 2} capture using fly ash-derived activated carbons impregnated with low molecular mass amines

    Energy Technology Data Exchange (ETDEWEB)

    Smith, K.M.; Arenillas, A.; Drage, T.C.; Snape, C.E. [University of Nottingham, Nottingham (United Kingdom). Nottingham Fuel and Energy Centre

    2005-07-01

    Two different approaches to develop high capacity CO{sub 2} sorbents are presented. Firstly, the modification of the surface chemistry of low cost carbons by impregnation with a basic nitrogen-containing polymer (i.e.polyethylenimine) is described. Relatively low molecular mass (MM) amines, namely diethanolamine (DEA, MM 105) and tetraethylenepentaamineacrylonitrile (TEPAN, MM 311) are used to produce high capacity CO{sub 2} sorbents from activated carbons derived from unburned carbon in fly ash, which have low mesoporosities. The CO{sub 2} adsorption capacity and thermal stability of the prepared sorbents was measured as a function of temperature in a thermogravimetric analyser. The results indicate that TEPAN is more effective than DEA; at a temperature of 75{sup o}C, fly ash-derived activated carbons loaded with TEPAN achieved CO{sub 2} adsorption capacities in excess of 5 wt%, which compares fabvourably with the CO{sub 2} absorption capacity of 6.5 wt% achieved with a mesoporous silica loaded with TEPAN, and outperforms fly ash-derived activated carbons loaded with PEI. TEPAN has also been shown to have a higher thermal stability than DEA. The second approach involves the development of high nitrogen content carbon matrix adsorbents by carbonisation and subsequent thermal or chemical activation of a range of materials (polyacrylonitrile, glucose-amine mixtures, melamine and urea/melamine-formaldehyde resins). The results show that although the amount of nitrogen incorporated to the final adsorbent is important, the N-functionality seems to be more relevant for increasing CO{sub 2} uptake. However, the adsorbent obtained from carbazole-sugar co-pyrolysis, despite the lower amount of N incorporated, shows high CO{sub 2} uptake, up to 9 wt%, probably because the presence of more basic functionalities as determined by XPS analysis. 9 refs., 2 figs.

  17. Apoptosis Effect of Girinimbine Isolated from Murraya koenigii on Lung Cancer Cells In Vitro

    Directory of Open Access Journals (Sweden)

    Syam Mohan

    2013-01-01

    Full Text Available Murraya koenigii Spreng has been traditionally claimed as a remedy for cancer. The current study investigated the anticancer effects of girinimbine, a carbazole alkaloid isolated from Murraya koenigii Spreng, on A549 lung cancer cells in relation to apoptotic mechanistic pathway. Girinimbine was isolated from Murraya koenigii Spreng. The antiproliferative activity was assayed using MTT and the apoptosis detection was done by annexin V and lysosomal stability assays. Multiparameter cytotoxicity assays were performed to investigate the change in mitochondrial membrane potential and cytochrome c translocation. ROS, caspase, and human apoptosis proteome profiler assays were done to investigate the apoptotic mechanism of cell death. The MTT assay revealed that the girinimbine induces cell death with an IC50 of 19.01 μM. A significant induction of early phase of apoptosis was shown by annexin V and lysosomal stability assays. After 24 h treatment with 19.01 μM of girinimbine, decrease in the nuclear area and increase in mitochondrial membrane potential and plasma membrane permeability were readily visible. Moreover the translocation of cytochrome c also was observed. Girinimbine mediates its antiproliferative and apoptotic effects through up- and downregulation of apoptotic and antiapoptotic proteins. There was a significant involvement of both intrinsic and extrinsic pathways. Moreover, the upregulation of p53 as well as the cell proliferation repressor proteins, p27 and p21, and the significant role of insulin/IGF-1 signaling were also identified. Moreover the caspases 3 and 8 were found to be significantly activated. Our results taken together indicated that girinimbine may be a potential agent for anticancer drug development.

  18. 3-(Dipropylamino)-5-hydroxybenzofuro[2,3-f]quinazolin-1(2H)-one (DPA-HBFQ-1) plays an inhibitory role on breast cancer cell growth and progression.

    Science.gov (United States)

    Rizza, Pietro; Pellegrino, Michele; Caruso, Anna; Iacopetta, Domenico; Sinicropi, Maria Stefania; Rault, Sylvain; Lancelot, Jean Charles; El-Kashef, Hussein; Lesnard, Aurelien; Rochais, Christophe; Dallemagne, Patrick; Saturnino, Carmela; Giordano, Francesca; Catalano, Stefania; Andò, Sebastiano

    2016-01-01

    A series of unknown 3-(alkyl(dialkyl)amino)benzofuro[2,3-f]quinazolin-1(2H)-ones 4-17 has been synthesized as new ellipticine analogs, in which the carbazole moiety and the pyridine ring were replaced by a dibenzofuran residue and a pyrimidine ring, respectively. The synthesis of these benzofuroquinazolinones 4-17 was performed in a simple one-pot reaction using 3-aminodibenzofuran or its 2-methoxy derivative, as starting materials. From 3-(dipropylamino)-5-methoxybenzofuro[2,3-f] quinazolin-1(2H)-one (13), we prepared 3-(dipropylamino)-5-hydroxybenzofuro[2,3-f]quinazolin-1(2H)-one (18), referred to as DPA-HBFQ-1. The cytotoxic activities of all the synthesized compounds, tested in different human breast cancer cell lines, revealed that DPA-HBFQ-1 was the most active compound. In particular, the latter was able to inhibit anchorage-dependent and -independent cell growth and to induce apoptosis in estrogen receptor alpha (ERα)-positive and -negative breast cancer cells. It did not affect proliferation and apoptotic responses in MCF-10A normal breast epithelial cells. The observed effects have been ascribed to an enhanced p21(Cip1/WAF1) expression in a p53-dependent manner of tumor suppressor and to a selective inhibition of human topoisomerase II. In addition, DPA-HBFQ-1 exerted growth inhibitory effects also in other cancer cell lines, even though with a lower cytotoxic activity. Our results indicate DPA-HBFQ-1 as a good candidate to be useful as cancer therapeutic agent, particularly for breast cancer.

  19. Conformational and Molecular Structures of α,β-Unsaturated Acrylonitrile Derivatives: Photophysical Properties and Their Frontier Orbitals

    Directory of Open Access Journals (Sweden)

    María Judith Percino

    2016-03-01

    Full Text Available We report single crystal X-ray diffraction (hereafter, SCXRD analyses of derivatives featuring the electron-donor N-ethylcarbazole or the (4-diphenylaminophenyl moieties associated with a -CN group attached to a double bond. The compounds are (2Z-3-(4-(diphenylamino-phenyl-2-(pyridin-3-ylprop-2-enenitrile (I, (2Z-3-(4-(diphenylaminophenyl-2-(pyridin-4-yl-prop-2-enenitrile (II and (2Z-3-(9-ethyl-9H-carbazol-3-yl-2-(pyridin-2-ylenenitrile (III. SCXRD analyses reveal that I and III crystallize in the monoclinic space groups P2/c with Z’ = 2 and C2/c with Z’ = 1, respectively. Compound II crystallized in the orthorhombic space group Pbcn with Z’ = 1. The molecular packing analysis was conducted to examine the pyridine core effect, depending on the ortho, meta- and para-positions of the nitrogen atom, with respect to the optical properties and number of independent molecules (Z’. It is found that the double bond bearing a diphenylamino moiety introduced properties to exhibit a strong π-π-interaction in the solid state. The compounds were examined to evaluate the effects of solvent polarity, the role of the molecular structure, and the molecular interactions on their self-assembly behaviors. Compound I crystallized with a cell with two conformers, anti and syn, due to interaction with solvent. DFT calculations indicated the anti and syn structures of I are energetically stable (less than 1 eV. Also electrochemical and photophysical properties of the compounds were investigated, as well as the determination of optimization calculations in gas and different solvent (chloroform, cyclohexane, methanol, ethanol, tetrahydrofuran, dichloromethane and dimethyl sulfoxide in the Gaussian09 program. The effect of solvent by PCM method was also investigated. The frontier HOMO and LUMO energies and gap energies are reported.

  20. Fine tuning of the PCDTBT-OR:PC71BM blend nanoscale phase separation via selective solvent annealing toward high-performance polymer photovoltaics

    International Nuclear Information System (INIS)

    Solution-processable polymer solar cells show great promise for providing a cost-effective route to create lightweight and flexible solar energy conversion devices. The photoactive layer comprising the conjugated polymer donor and fullerene derivative acceptor must be optimized to form bicontinuous nanoscale phase separation in order for efficient exciton dissociation and charge collection due to the short exciton diffusion length of organic semiconductors. The donor polymer poly[9-(heptadecan-9-yl)-9H-carbazole- 2,7-diyl-alt-(5,6-bis(hexyloxy)-4,7-di(thiophen-2- yl)benzo[c][1,2,5]thiadiazole)-5,5-diyl] (PCDTBT-OR) has a deeper highest occupied molecular orbital level compared to its counterpart PCDTBT, and shows promise in increasing the open-circuit voltage and power conversion efficiency (PCE) of polymer solar cells. The phase separation evolution of the PCDTBT-OR:PC71BM blend with various weight ratios under tetrahydrofuran (THF) vapor annealing and its influence on the photovoltaic performance is investigated in detail. It is found that THF vapor annealing can promote the acceptor PC71BM aggregation from the donor PCDTBT-OR matrix to form nanoscale donor/acceptor phase separation for efficient exciton dissociation and charge collection depending on the donor/acceptor weight ratio and the annealing time. The THF vapor-annealed PCDTBT-OR:PC71BM solar cells exhibit remarkable enhancement, with a PCE of 7.01% compared to 3.25% of the as-cast solar cells with the same active layer thickness. This work provides a general methodology to construct nano-interpenetrating networks for homogeneous polymer/fullerene blends and is potentially applicable to the roll-to-roll manufacturing of polymer solar cells. (paper)

  1. Pyrrolo[3,2-b]pyrrole-Based Copolymers as Donor Materials for Organic Photovoltaics

    International Nuclear Information System (INIS)

    A new accepter unit, pyrrolo[3,2-b]pyrrole-2,5-dione, was prepared and utilized for the synthesis of the conjugated polymers containing electron donor-acceptor pair for OPVs. Pyrrolo[3,2-b]pyrrole-2,5-dione unit, regioisomer of the known pyrrolo[3,4-c]pyrrole-1,4-dione, is originated from the structure of stable synthetic pigment. The new conjugated polymers with 1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione, thiophene and carbazole were synthesized using Suzuki polymerization to generate P1 and P2. The solid films of P1 and P2 show absorption bands with maximum peaks at about 377, 554 and 374, 542 nm and the absorption onsets at 670 and 674 nm, corresponding to band gaps of 1.85 and 1.84 eV, respectively. To improve the hole mobility of the polymer with 1,4-bis(4-butylphenyl)-pyrrolo[3,2-b]-pyrrole-2,5-dione unit, which was previously reported by us, the butyl group at the 4-positions of the N-substituted phenyl group was substituted with hydrogen and methyl group. The field-effect hole mobility of P2 is 9.6 Χ 10-5 cm2/Vs. The device with P2:PC71BM (1:2) showed VOC value of 0.84 V, JSC value of 5.10 mA/cm2, and FF of 0.33, giving PCE of 1.42%

  2. Total syntheses of the telomerase inhibitors dictyodendrin B, C, and E.

    Science.gov (United States)

    Fürstner, Alois; Domostoj, Mathias M; Scheiper, Bodo

    2006-06-21

    Concise and flexible total syntheses of the pyrrolo[2,3-c]carbazole alkaloids dictyodendrin B (2), C (3), and E (5) are described. These polycyclic telomerase inhibitors of marine origin derive from the common intermediate 18 which was prepared on a multigram scale by a sequence comprising a TosMIC cycloaddition with formation of the pyrrole A-ring, a titanium-induced reductive oxoamide coupling reaction to generate an adjacent indole nucleus, and a photochemical 6pi-electrocyclization/aromatization tandem to forge the pyrrolocarbazole core. Conversion of 18 into dictyodendrin C required selective manipulations of the lateral protecting groups and oxidation with peroxoimidic acid to form the vinylogous benzoquinone core of the target. Zinc-induced reductive cleavage of the trichloroethyl sulfate ester then completed the first total synthesis of 3. Its relatives 2 and 5 also originate from compound 18 by a selective bromination of the pyrrole entity followed by elaboration of the resulting bromide 27 via metal-halogen exchange or cross-coupling chemistry, respectively. Particularly noteworthy in this context is the generation of the very labile p-quinomethide motif of dictyodendrin E by a palladium-catalyzed benzyl cross-coupling reaction followed by vinylogous oxidation of the resulting product 41 with DDQ. The Suzuki step could only be achieved with the aid of the borate complex 40 formed in situ from p-methoxybenzylmagnesium chloride and 9-MeO-9-BBN, whereas alternative methods employing benzylic boronates, -trifluoroborates, or -stannanes met with failure. PMID:16771525

  3. The aryl hydrocarbon receptor: differential contribution to T helper 17 and T cytotoxic 17 cell development.

    Directory of Open Access Journals (Sweden)

    Mark D Hayes

    Full Text Available The aryl hydrocarbon receptor (AhR has been shown to be required for optimal Thelper (Th 17 cell activation. Th17 cells provide immunity against extracellular pathogens and are implicated in autoimmune diseases. Herein, the role of the AhR in cytokine production by Th17, and by the analogous population of T cytotoxic (Tc17 cells, has been examined. Lymph node Tc (CD8(+ and Th (CD4(+ cells were isolated by negative selection from naive AhR(+/- and AhR(-/- mice and polarised to Tc1/Th1 or Tc17/Th17 phenotypes with appropriate cytokines. Cell differentiation was assessed as a function of mRNA and protein (ELISA and flow cytometry expression for interferon (IFN-γ and for key Th17 cytokines. In AhR(+/- mice, Th17 cells displayed an exclusive IL-17 profile, which was markedly inhibited by a selective AhR antagonist to levels observed in AhR knockout mice. Addition of the natural AhR agonist 6-formylindolo[3,2-b]carbazole (FICZ markedly enhanced Th17 cell activity in the heterozygotes. In contrast, Tc17 cells polarised into 3 distinct subsets: producing either IL-17 or IFN-γ alone, or both cytokines. Blocking AhR was also detrimental to Tc17 development, with reduced responses recorded in AhR(-/- mice and antagonist-mediated reduction of IL-17 expression in the heterozygotes. However, Tc17 cells were largely refractory to exogenous FICZ, presumably because Tc17 cells express baseline AhR mRNA, but unlike Th17 cells, there is no marked up-regulation during polarisation. Thus, Th17 cell development is more dependent upon AhR activation than is Tc17 cell development, suggesting that endogenous AhR ligands play a much greater role in driving Th17 cell responses.

  4. The aryl hydrocarbon receptor: differential contribution to T helper 17 and T cytotoxic 17 cell development.

    Science.gov (United States)

    Hayes, Mark D; Ovcinnikovs, Vitalijs; Smith, Andrew G; Kimber, Ian; Dearman, Rebecca J

    2014-01-01

    The aryl hydrocarbon receptor (AhR) has been shown to be required for optimal Thelper (Th) 17 cell activation. Th17 cells provide immunity against extracellular pathogens and are implicated in autoimmune diseases. Herein, the role of the AhR in cytokine production by Th17, and by the analogous population of T cytotoxic (Tc)17 cells, has been examined. Lymph node Tc (CD8(+)) and Th (CD4(+)) cells were isolated by negative selection from naive AhR(+/-) and AhR(-/-) mice and polarised to Tc1/Th1 or Tc17/Th17 phenotypes with appropriate cytokines. Cell differentiation was assessed as a function of mRNA and protein (ELISA and flow cytometry) expression for interferon (IFN)-γ and for key Th17 cytokines. In AhR(+/-) mice, Th17 cells displayed an exclusive IL-17 profile, which was markedly inhibited by a selective AhR antagonist to levels observed in AhR knockout mice. Addition of the natural AhR agonist 6-formylindolo[3,2-b]carbazole (FICZ) markedly enhanced Th17 cell activity in the heterozygotes. In contrast, Tc17 cells polarised into 3 distinct subsets: producing either IL-17 or IFN-γ alone, or both cytokines. Blocking AhR was also detrimental to Tc17 development, with reduced responses recorded in AhR(-/-) mice and antagonist-mediated reduction of IL-17 expression in the heterozygotes. However, Tc17 cells were largely refractory to exogenous FICZ, presumably because Tc17 cells express baseline AhR mRNA, but unlike Th17 cells, there is no marked up-regulation during polarisation. Thus, Th17 cell development is more dependent upon AhR activation than is Tc17 cell development, suggesting that endogenous AhR ligands play a much greater role in driving Th17 cell responses. PMID:25203682

  5. Rational Molecular Engineering of Indoline-Based D-A-π-A Organic Sensitizers for Long-Wavelength-Responsive Dye-Sensitized Solar Cells.

    Science.gov (United States)

    Zhang, Weiwei; Wu, Yongzhen; Zhu, Haibo; Chai, Qipeng; Liu, Jingchuan; Li, Hui; Song, Xiongrong; Zhu, Wei-Hong

    2015-12-01

    Indoline-based D-A-π-A organic sensitizers are promising candidates for highly efficient and long-term stable dye-sensitized solar cells (DSSCs). In order to further broaden the spectral response of the known indoline dye WS-2, we rationally engineer the molecular structure through enhancing the electron donor and extending the π-bridge, resulting in two novel indoline-based D-A-π-A organic sensitizers WS-92 and WS-95. By replacing the 4-methylphenyl group on the indoline donor of WS-2 with a more electron-rich carbazole unit, the intramolecular charge transfer (ICT) absorption band of dye WS-92 is slightly red-shifted from 550 nm (WS-2) to 554 nm (WS-92). In comparison, the incorporation of a larger π-bridge of cyclopentadithiophene (CPDT) unit in dye WS-95 not only greatly bathochromatically tunes the absorption band to 574 nm but also largely enhances the molar extinction coefficients (ε), thus dramatically improving the light-harvesting capability. Under the standard global AM 1.5 solar light condition, the photovoltaic performances of both organic dyes have been evaluated in DSSCs on the basis of the iodide/triiodide electrolyte without any coadsorbent or cosensitizer. The DSSCs based on WS-95 display better device performance with power conversion efficiency (η) of 7.69%. The additional coadsorbent in the dye bath of WS-95 does not improve the photovoltaic performance, indicative of its negligible dye aggregation, which can be rationalized by the grafted dioctyl chains on the CPDT unit. The cosensitization of WS-95 with a short absorption wavelength dye S2 enhances the IPCE and improves the η to 9.18%. Our results indicate that extending the π-spacer is more rational than enhancing the electron donor in terms of broadening the spectral response of indoline-based D-A-π-A organic sensitizers. PMID:26552499

  6. Efficient ternary organic photovoltaics incorporating a graphene-based porphyrin molecule as a universal electron cascade material.

    Science.gov (United States)

    Stylianakis, M M; Konios, D; Kakavelakis, G; Charalambidis, G; Stratakis, E; Coutsolelos, A G; Kymakis, E; Anastasiadis, S H

    2015-11-14

    A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric-acid-methyl-ester (PC71BM) as an electron acceptor material and two different polymer donor materials, poly[N-9'-hepta-decanyl-2,7-carbazole-alt-5,5-(40,70-di-2-thienyl-20,10,30-benzothiadiazole)] (PCDTBT) and the highly efficient poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7), were fabricated. The addition of GO-TPP into the active layer implies continuous percolation paths between the D-A interfaces, enhancing charge transport, reducing exciton recombination and thus improving the photovoltaic performance of the device. A simultaneous increase of short circuit current density (Jsc), open-circuit voltage (Voc) and fill factor (FF), compared to the PTB7:PC71BM reference cell, led to an improved power conversion efficiency (PCE) of 8.81% for the PTB7:GO-TPP:PC71BM-based device, owing mainly to the more efficient energy level offset between the active layer components.

  7. Novel cathode interlayers based on neutral alcohol-soluble small molecules with a triphenylamine core featuring polar phosphonate side chains for high-performance polymer light-emitting and photovoltaic devices.

    Science.gov (United States)

    Chen, Dongcheng; Zhou, Hu; Liu, Ming; Zhao, Wei-Ming; Su, Shi-Jian; Cao, Yong

    2013-04-12

    A new family of neutral alcohol-soluble small molecular materials comprised of electron-rich triphenylamine (TPA) and fluorene featuring phosphonate side chains (FEP) is reported, namely 3TPA-FEP, 2TPA-2FEP and TPA-3FEP, which have different TPA and FEP contents. Due to their good solubility in polar solvents like alcohol, multilayer devices can be fabricated by a wet process from orthogonal solvents. Polymer light-emitting devices with these materials as a cathode interlayer and Al as the cathode show greatly enhanced efficiencies in contrast to control devices without such a cathode interlayer, and their efficiencies are comparable with or even higher than devices with the low work-function metal Ba/Al as the cathode. In addition, high-performance polymer solar cells based on the poly[N-9''-hepta-decanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT):[6,6]-phenyl C71 -butyric acid methyl ester (PC71 BM) system are also achieved with power conversion efficiencies of 7.21%, 6.90% and 6.89%, by utilizing 3TPA-FEP, 2TPA-2FEP and TPA-3FEP as the cathode interlayer, respectively. These efficiencies are also much higher than those for control devices without the cathode interlayer. Although TPA is well-known as a hole-transport unit, the current findings indicate that alcohol-soluble TPA-based small molecules are also a promising cathode interlayer for both electron injection and extraction. PMID:23386362

  8. White Polymer Light-Emitting Diodes Based on Exciplex Electroluminescence from Polymer Blends and a Single Polymer.

    Science.gov (United States)

    Liang, Junfei; Zhao, Sen; Jiang, Xiao-Fang; Guo, Ting; Yip, Hin-Lap; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong

    2016-03-01

    In this Article, we designed and synthesized a series of polyfluorene derivatives, which consist of the electron-rich 4,4'-(9-alkyl-carbazole-3,6-diyl)bis(N,N-diphenylaniline) (TPA-Cz) in the side chain and the electron-deficient dibenzothiophene-5,5-dioxide (SO) unit in the main chain. The resulting copolymer PF-T25 that did not comprise the SO unit exhibited blue light-emission with the Commission Internationale de L'Eclairage coordinates of (0.16, 0.10). However, by physically blending PF-T25 with a blue light-emitting SO-based oligomer, a novel low-energy emission correlated to exciplex emerged due to the appropriate energy level alignment of TPA-Cz and the SO-based oligomers, which showed extended exciton lifetime as confirmed by time-resolved photoluminescent spectroscopy. The low-energy emission was also identified in copolymers consisting of SO unit in the main chain, which can effectively compensate for the high-energy emission to produce binary white light-emission. Polymer light-emitting diodes based on the exciplex-type single greenish-white polymer exhibit the peak luminous efficiency of 2.34 cd A(-1) and the maximum brightness of 12 410 cd m(-2), with Commission Internationale de L'Eclairage color coordinates (0.27, 0.39). The device based on such polymer showed much better electroluminescent stability than those based on blending films. These observations indicated that developing a single polymer with the generated exciplex emission can be a novel and effective molecular design strategy toward highly stable and efficient white polymer light-emitting diodes.

  9. 高产D-塔格糖植物乳杆菌WU14的筛选与鉴定

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    D-tagatose is a kind of natural sweetener with low-calorie.L-arabinose isomerase is the key enzyme for D-galactose isomerization to D-tagatose by biological method.In this study lactic acid bacteria strains were isolated from pickled vegetables and pickled cabbage.A lactic acid bacteria strain with high yield of D-tagatose was screened by the thin layer chromatography and modified cysteine carbazole method from the lactic acid bacteria strains and its L-arabinose isomerase activity was 13.95 U/mL after analysed.This strain was named Lactobacillus plantarum WU14 based on the se-quence analysis of 16S rDNA and biochemical characteristics.The result of this study could lay the foundation for the bio-conversion D-tagatose industrial production.%D-塔格糖是一种天然低热量甜味剂。 L-阿拉伯糖异构酶(L-AI)是生物法异构化D-半乳糖为D-塔格糖的关键酶。本研究从腌菜和泡菜中分离出一批乳酸菌,经薄层色谱法初筛和改良半胱氨酸咔唑法复筛,获得一株高产D-塔格糖的乳酸菌,其发酵粗酶液中L-阿拉伯糖异构酶酶活达13.95 U/mL,经16S rDNA序列比对及生化特征分析,该菌被鉴定并命名为Lactobacillus plantarum WU14。研究结果可为生物转化D-塔格糖达到工业化生产奠定基础。

  10. Petroleum Migration Direction of the Silurian Paleo-pools in the Tarim Basin, Northwest China

    Institute of Scientific and Technical Information of China (English)

    LIU Luofu; LI Yan; ZHAO Yande; HUO Hong; CHEN Lixin; CHEN Yuanzhuang; ZHAO Suping; LI Chao; LI Shuangwen; GUO Yongqiang

    2008-01-01

    The results obtained in this paper indicate that carbazole-type compounds have high thermal stability and also show stability in oxidation and bio-degradation. This kind of compounds still has a high concentration and complete distribution in the analyzed dry asphalt samples, showing that they are particularly useful in studying petroleum migration of paleo-pooi. During the basin's first-stage of oil-gas pool formation in the Silurian in Tazhong and Tabei areas of Tarim Basin (at the end of Silurian period) and the second-stage in the Awati area (in Permian), the petroleum experienced a long-distance migration. During the formation of the Silurian paleo-pools in Tazhong Uplift at the end of Silurian, the petroleum mainly came from the lower and middle Cambrian source rocks in the Manjiaer sag. The petroleum migrated towards the southwest-south entering the Silurian reservoir beds in Tazhong first. Then, it further migrated within Silurian from northwest to southeast along the highs of the Structural Belts to the region of the Silurian pinchout boundary in Tazhong. In Tabei Uplift, during the first-stage of pool formation, the petroleum was also from the lower and middle Cambrian source rocks in the Manjiaer sag. It migrated northwest entering the Silurian reservoir beds in the Tabei Uplift firstly, and then the migration continued in the same direction within the Silurian reservoirs and finally the petroleum was trapped in higher positions. During the second-stage pool formation in the Silurian beds in the areas around Awati sag, the petroleum mainly came from the lower-middle Cambrian source rocks in the Awati sag. The petroleum migrated from the generation center to Silurian reservoirs in all directions around the sag through major paths, and the petroleum was finally trapped in higher locations.

  11. The role of spin exchange in charge transfer in low-bandgap polymer: Fullerene bulk heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Krinichnyi, V. I., E-mail: kivirus@gmail.com; Yudanova, E. I.; Denisov, N. N. [Kinetics and Catalysis, Institute of Problems of Chemical Physics, Chernogolovka 142432 (Russian Federation)

    2014-07-28

    Formation, relaxation and dynamics of polarons and methanofullerene anion radicals photoinitiated in poly[N-9″-hepta-decanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′, 3′-benzothiadiazole)]:-[6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCDTBT:PC{sub 61}BM) bulk heterojunctions were studied mainly by light-induced EPR (LEPR) spectroscopy in wide photon energy and temperature ranges. Some polarons are pinned by spin traps whose number and depth are governed by the composite morphology and photon energy. The proximity of the photon energy and the polymer bandgap reduces the number of such traps, inhibits recombination of mobile charge carriers, and facilitates their mobility in polymer network. Spin relaxation and charge carrier dynamics were studied by the steady-state saturation method at wide range of temperature and photon energy. These processes were shown to be governed by spin exchange as well as by the photon energy. Charge transfer in the composite is governed by the polaron scattering on the lattice phonons of crystalline domains embedded into amorphous polymer matrix and its activation hopping between polymer layers. The energy barrier required for polaron interchain hopping exceeds that of its intrachain diffusion. Anisotropy of polaron dynamics in the PCDTBT:PC61BM composite is less than that of poly(3-alkylthiophenes)-based systems that evidences for better ordering of the former. Lorentzian shape of LEPR lines of both charge carriers, lower concentration of spin traps as well as behaviours of the main magnetic resonance parameters were explained by layer ordered morphology of polymer matrix.

  12. Surfactant-free, low band gap conjugated polymer nanoparticles and polymer:fullerene nanohybrids with potential for organic photovoltaics

    Science.gov (United States)

    Wang, Suxiao; Singh, Amita; Walsh, Nichola; Redmond, Gareth

    2016-06-01

    Stable, aqueous dispersions of nanoparticles based on the low band gap polymers poly [2,7-(9,9-dioctyl-fluorene)-alt-5,5-(4‧,7‧-di-2-thienyl-2‧,1‧,3‧-benzothiadiazole)] (APFO-3) and poly [N-9‧-heptadecanyl-2,7-carbazole-alt-5,5-(4‧,7‧-di-2-thienyl-2‧,1‧,3‧-benzothiadiazole)] (PCDTBT) were prepared, using a flexible, surfactant-free reprecipitation method, and characterized by a variety of optical techniques. Light scattering measurements indicated average nanoparticle hydrodynamic diameters of approximately 40 nm. The particles presented wide-bandwidth absorption and photoluminescence excitation spectra with high absorption cross-sections on the order of 10‑12 cm2. Nanoparticle emission spectra were significantly red-shifted, with decreased emission quantum yields and lifetimes, consistent with increased inter-polymer chain interactions in the condensed phase. Single particle photoluminescence studies highlighted the multi-chromophoric nature of the polymer nanoparticles and confirmed their favorable photostabilities. When the nanoparticles were doped with [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), the correspondence of photoluminescence emission quenching, quantum yield decreases, emission lifetime shortening, and increased non-radiative rates with increasing PCBM concentration suggested efficient photo-induced donor-to-acceptor charge transfer between the conjugated polymers and the fullerene dopants co-localized in the nanoparticle cores. Taken together, the data suggest that these surfactant-free hybrid nanomaterials may be useful for integration with future nanostructured organic photovoltaics technologies.

  13. High color rendering index white organic light-emitting diode using levofloxacin as blue emitter

    Science.gov (United States)

    Miao, Yan-Qin; Gao, Zhi-Xiang; Zhang, Ai-Qin; Li, Yuan-Hao; Wang, Hua; Jia, Hu-Sheng; Liu, Xu-Guang; Tsuboi, Taijuf

    2015-05-01

    Levofloxacin (LOFX), which is well-known as an antibiotic medicament, was shown to be useful as a 452-nm blue emitter for white organic light-emitting diodes (OLEDs). In this paper, the fabricated white OLED contains a 452-nm blue emitting layer (thickness of 30 nm) with 1 wt% LOFX doped in CBP (4,4’-bis(carbazol-9-yl)biphenyl) host and a 584-nm orange emitting layer (thickness of 10 nm) with 0.8 wt% DCJTB (4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran) doped in CBP, which are separated by a 20-nm-thick buffer layer of TPBi (2,2’,2”-(benzene-1,3,5-triyl)-tri(1-phenyl-1H-benzimidazole). A high color rendering index (CRI) of 84.5 and CIE chromaticity coordinates of (0.33, 0.32), which is close to ideal white emission CIE (0.333, 0.333), are obtained at a bias voltage of 14 V. Taking into account that LOFX is less expensive and the synthesis and purification technologies of LOFX are mature, these results indicate that blue fluorescence emitting LOFX is useful for applications to white OLEDs although the maximum current efficiency and luminance are not high. The present paper is expected to become a milestone to using medical drug materials for OLEDs. Project supported by the Program for New Century Excellent Talents in University of Ministry of Education of China (Grant No. NCET-13-0927), the International Science & Technology Cooperation Program of China (Grant No. 2012DFR50460), the National Natural Science Foundation of China (Grant Nos. 21101111 and 61274056), and the Shanxi Provincial Key Innovative Research Team in Science and Technology, China (Grant No. 2012041011).

  14. Genotoxicity of heterocyclic PAHs in the micronucleus assay with the fish liver cell line RTL-W1.

    Directory of Open Access Journals (Sweden)

    Markus Brinkmann

    Full Text Available Heterocyclic aromatic hydrocarbons are, together with their un-substituted analogues, widely distributed throughout all environmental compartments. While fate and effects of homocyclic PAHs are well-understood, there are still data gaps concerning the ecotoxicology of heterocyclic PAHs: Only few publications are available investigating these substances using in vitro bioassays. Here, we present a study focusing on the identification and quantification of clastogenic and aneugenic effects in the micronucleus assay with the fish liver cell line RTL-W1 that was originally derived from rainbow trout (Oncorhynchus mykiss. Real concentrations of the test items after incubation without cells were determined to assess chemical losses due to, e.g., sorption or volatilization, by means of gas chromatography-mass spectrometry. We were able to show genotoxic effects for six compounds that have not been reported in vertebrate systems before. Out of the tested substances, 2,3-dimethylbenzofuran, benzothiophene, quinoline and 6-methylquinoline did not cause substantial induction of micronuclei in the cell line. Acridine caused the highest absolute induction. Carbazole, acridine and dibenzothiophene were the most potent substances compared with 4-nitroquinoline oxide, a well characterized genotoxicant with high potency used as standard. Dibenzofuran was positive in our investigation and tested negative before in a mammalian system. Chemical losses during incubation ranged from 29.3% (acridine to 91.7% (benzofuran and may be a confounding factor in studies without chemical analyses, leading to an underestimation of the real potency. The relative potency of the investigated substances was high compared with their un-substituted PAH analogues, only the latter being typically monitored as priority or indicator pollutants. Hetero-PAHs are widely distributed in the environment and even more mobile, e.g. in ground water, than homocyclic PAHs due to the higher water

  15. Columnar liquid crystals in cylindrical nanoconfinement.

    Science.gov (United States)

    Zhang, Ruibin; Zeng, Xiangbing; Kim, Bongseock; Bushby, Richard J; Shin, Kyusoon; Baker, Patrick J; Percec, Virgil; Leowanawat, Pawaret; Ungar, Goran

    2015-02-24

    Axial orientation of discotic columnar liquid crystals in nanopores of inorganic templates, with the columns parallel to the axis of the nanochannels, is considered desirable for applications such as production of molecular wires. Here, we evaluate experimentally the role of the rigidity of the LC columns in achieving such orientation in nanopores where the planar anchoring (i.e., columns parallel to wall surface) is enforced. We studied the columnar phase of several discotic compounds with increasing column rigidity in the following order: dendronized carbazole, hexakis(hexyloxy)triphenylene (HAT6), a 1:1 HAT6-trinitrofluorenone (TNF) complex, and a helicene derivative. Using 2-D X-ray diffraction, AFM, grazing incidence diffraction, and polarized microscopy, we observed that the orientation of the columns changes from circular concentric to axial with increasing column rigidity. Additionally, when the rigidity is borderline, increasing pore diameter can change the configuration from axial back to circular. We derive expressions for distortion free energy that suggest that the orientation is determined by the competition between, on the one hand, the distortion energy of the 2-d lattice and the mismatch of its crystallographic facets with the curved pore wall in the axial orientation and, on the other hand, the bend energy of the columns in the circular configuration. Furthermore, the highly detailed AFM images of the core of the disclinations of strength +1 and +1/2 in the center of the pore reveal that the columns spiral down to the very center of the disclination and that there is no amorphous or misaligned region at the core, as suggested previously. PMID:25626118

  16. Analysis of polycyclic aromatic hydrocarbons in street soil dust in Kumasi Metropolis of Ghana.

    Science.gov (United States)

    Essumang, D K; Dodoo, D K; Obiri, S; Oduro, A K

    2006-10-01

    Concentrations of polycyclic aromatic hydrocarbons (PAHs) in street soil dust from streets in Kumasi Metropolis in the Ashanti Region of the Republic of Ghana have been measured in this study. The concentrations of the various types of PAHs identified in this study are as follows: Naphthalene (m/e 128) - 41,700 microg/kg, Acenaphthylene (m/e 152) - 99,300 microg/kg, Acenaphthene (m/e 154) - 111,200 microg/kg, Fluorene (m/e 166) - 8,900 microg/kg, Carbazole (m/e 167) - 3,500 microg/kg, phenathrene (m/e 178) - 12,900 microg/kg, Anthracene (m/e 178) - 5,400 microg/kg, Fluoranthene (m/e 202) - 16,200 microg/kg, Pyrene (m/e 202) - 15,000 microg/kg, Benzo[a]anthracene (m/e 228) - 13,800 microg/kg, Chrysene (m/e 228) - 33,600 microg/kg, Benzo[k]fluoranthene (m/e 252) - 45,700 microg/kg, Benzo[a]pyrene (m/e 252) - 27,900 microg/kg, Perylene (m/e 252) - 57,200 microg/kg and Benzo[g, h, i]perylene (m/e 276) - 47,000 microg/kg. The results of the study shows that road users, like resident living in buildings within these areas, those engaged in commercial activities like hawking, and the general public are at risk of exposure to the toxic effects of the various types of PAHs from the exhaust of vehicles into the environment. According to these results, there is the potential for exposure to high levels of PAHs for road users and those living in urban environments or along highways.

  17. Padronização da técnica de imunoperoxidase para detecção do vírus da diarréia bovina a vírus em cultura de células: Standardization of immunoperoxidase test to detection bovine viral diarrhea virus in cell culture

    Directory of Open Access Journals (Sweden)

    G.I. Andrade

    2002-12-01

    Full Text Available Este estudo teve como objetivo a padronização do ensaio de imunoperoxidase em monocamada de células (IPM para o diagnóstico etiológico da diarréia bovina a vírus (DBV. O teste foi padronizado em monocamada de cultivo primário de pulmão fetal bovino (PFB inoculada com as amostras clássicas, citopatogênica (CP e não citopatogênica (NCP, do vírus da DBV e testado em amostras biológicas suspeitas processadas no teste clássico de isolamento viral (IV. O método de IPM identificou o vírus da DBV, apresentando melhores resultados com a utilização do calor como agente fixador, a soroalbumina bovina a 4% em PBS como bloqueador e a revelação com o cromógeno 3-amino-9-etil-carbazol (AEC. Como anticorpos primários, tanto o anticorpo policlonal como o monoclonal forneceram bons resultados.The aim of this study was to standardize the immunoperoxidase in cell monolayer assay (IPMA for the etiological diagnosis of bovine viral diarrhea (BVD. The method was standardized in monolayer of primary bovine fetal lung culture inoculated with cytophatic and non-cytophatic classical strains of BVD virus and tested using samples that were considered suspected in the classical technique of viral isolation. The IPMA successfully identified BVD virus and presented better results when heat was used for fixation, BSA 4% solution in PBS was used for blocking and AEC chromogen was used for revelation. Both monoclonal and polycloral antibodies gave good results when used as primary antibodies.

  18. Effect of Various Calcium Concentrations Dip Treatment on Firmness and Pectin Content During Post-harvest of Plum%采后不同浓度钙处理对贮藏期间李果实硬度及果胶含量的影响

    Institute of Scientific and Technical Information of China (English)

    李金龙

    2015-01-01

    In the‘Long Yuan peach plum’as the research object ,using the colorimetry of carbazole ,by CaCl2 solu‐tion of different concentration of plum fruit during storage process ,changes of fruit firmness and the content of pec‐tin ,the research draws the conclusion :the storage period ,with the decline of plum fruit hardness ,covalent pectin content decreased gradually ,the elevation of pectin and the ion of pectin content of water soluble ;after CaCl2 solu‐tion treatment ,the period of plum fruit hardness and pectin content was significantly higher than the control ,the variation in hardness and pectin content than the control slow ;the concentration of 1% CaCl2 solution treatment , the best effect of storage of plum fruit .%以‘龙园桃李’为研究对象,运用咔唑比色法,通过不同浓度的C aC l2溶液对贮藏期间李果实的处理,研究果实硬度及果胶含量的变化。得出结论:贮藏期间,随着李果实硬度的下降,共价结合果胶含量逐渐降低,水溶性果胶和离子态果胶含量升高;经C aC l2溶液处理后,各时期李果实硬度和果胶含量明显高于对照,硬度和果胶含量的变化比对照慢;1% C aC l2溶液浓度处理下,对李果实贮藏效果最好。

  19. Phenylcarbazole and phosphine oxide/sulfide hybrids as host materials for blue phosphors: effectively tuning the charge injection property without influencing the triplet energy.

    Science.gov (United States)

    Wu, Jie; Liao, Yi; Wu, Shui-Xing; Li, Hai-Bin; Su, Zhong-Min

    2012-02-01

    Compared with red and green phosphorescent organic light-emitting diodes (PHOLEDs), efficient blue PHOLEDs are still scarce, because it is difficult for the host materials for blue phosphors to achieve a trade-off between a wide triplet energy and good charge injection properties. We theoretically studied a series of hybrid phosphine oxide/sulfide-phenylcarbazole host molecules (PO(S)PhCBZs) for blue phosphors through different linkage modes between phenylcarbazole (PhCBZ) and phosphine oxide/sulfide (PO/PS) moieties. The results indicate that the singlet excitons of all PO(S)-PhCBZs are delocalized over the entire molecule with intramolecular charge transfer (ICT) character and different linkage modes cause various degrees of ICT, which determines the injection abilities of carriers from neighboring layers following the order: PO-Phs (PO linked to the phenyl of PhCBZ) > para-POs (PO linked to the para-positions of PhCBZ) > meta-POs (PO linked to the meta-positions of PhCBZ). By contrast, the triplet excitons are confined to the carbazole unit for all PO(S)-PhCBZs. High triplet energies (E(T)) are therefore kept up for all systems, except for para-POs showing a slight drop in E(T) due to the delocalization of their triplet excitons to the phenyl moiety of PhCBZ. All hybrid PO(S)-PhCBZs, especially PO(s)-Phs, exhibit an enhancement in electron injection and triplet energy compared with the most widely used host material (N,N-dicarbazolyl-3,5-benzene) for blue PHOLEDs, and thereby have great potential for application in highly efficient light emitting diodes. PMID:22193557

  20. C-H and N-H bond dissociation energies of small aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Barckholtz, C.; Barckholtz, T.A.; Hadad, C.M.

    1999-01-27

    A survey of computational methods was undertaken to calculate the homolytic bond dissociation energies (BDEs) of the C-H and N-H bonds in monocyclic aromatic molecules that are representative of the functionalities present in coal. These include six-membered rings (benzene, pyridine, pyridazine, pyrimidine, pyrazine) and five-membered rings (furan, thiophene, pyrrole, oxazole). By comparison of the calculated C-H BDEs with the available experimental values for these aromatic molecules, the B3LYP/6-31G(d) level of theory was selected to calculate the BDEs of polycyclic aromatic hydrocarbons (PAHs), including carbonaceous PAHs (naphthalene, anthracene, pyrene, coronene) and heteroatomic PAHs (benzofuran, benzothiophene, indole, benzoxazole, quinoline, isoquinoline, dibenzofuran, carbazole). The cleavage of a C-H or a N-H bond generates a {sigma} radical that is, in general, localized at the site from which the hydrogen atom was removed. However, delocalization of the unpaired electron results in {approximately} 7 kcal {center{underscore}dot} mol{sup {minus}1} stabilization of the radical with respect to the formation of phenyl when the C-H bond is adjacent to a nitrogen atom in the azabenzenes. Radicals from five-membered rings are {approximately} 6 kcal {center{underscore}dot} mol{sup {minus}1} less stable than those formed from six-membered rings due to both localization of the spin density and geometric factors. The location of the heteroatoms in the aromatic ring affects the C-H bond strengths more significantly than does the size of the aromatic network. Therefore, in general, the monocyclic aromatic molecules can be used to predict the C-H BDE of the large PAHs within 1 kcal {center{underscore}dot} mol{sup {minus}1}.

  1. Investigation of cross-linking characteristics of novel hole-transporting materials for solution-processed phosphorescent OLEDs

    Science.gov (United States)

    Lee, Jaemin; Ameen, Shahid; Lee, Changjin

    2016-04-01

    After the success of commercialization of the vacuum-evaporated organic light-emitting diodes (OLEDs), solutionprocessing or printing of OLEDs are currently attracting much research interests. However, contrary to various kinds of readily available vacuum-evaporable OLED materials, the solution-processable OLED materials are still relatively rare. Hole-transporting layer (HTL) materials for solution-processed OLEDs are especially limited, because they need additional characteristics such as cross-linking to realize multilayer structures in solution-processed OLEDs, as well as their own electrically hole-transporting characteristics. The presence of such cross-linking characteristics of solutionprocessable HTL materials therefore makes them more challenging in the development stage, and also makes them essence of solution-processable OLED materials. In this work, the structure-property relationships of thermally crosslinkable HTL materials were systematically investigated by changing styrene-based cross-linking functionalities and modifying the carbazole-based hole-transporting core structures. The temperature dependency of the cross-linking characteristics of the HTL materials was systematically investigated by the UV-vis. absorption spectroscopy. The new HTL materials were also applied to green phosphorescent OLEDs, and their device characteristics were also investigated based on the chemical structures of the HTL materials. The device configuration was [ITO / PEDOT:PSS / HTL / EML / ETL / CsF / Al]. We found out that the chemical structures of the cross-linking functionalities greatly affect not only the cross-linking characteristics of the resultant HTL materials, but also the resultant OLED device characteristics. The increase of the maximum luminance and efficiency of OLEDs was evident as the cross-linking temperature decreases from higher than 200°C to at around 150°C.

  2. Morphology-Dependent Trap Formation in High Performance Polymer Bulk Heterojunction Solar Cells

    KAUST Repository

    Beiley, Zach M.

    2011-06-28

    Bulk heterojunction solar cells (BHJs) based on poly[N-9″-hepta- decanyl-2,7-carbazole- alt -5,5-(4′,7′-di-2-thienyl-2′, 1′,3′-benzothiadiazole)] (PCDTBT) can have internal quantum efficiencies approaching 100% but require active layers that are too thin to absorb more than ∼70% of the above band gap light. When the active layer thickness is increased so that the cell absorbs more light, the fi ll factor and open circuit voltage decrease rapidly, so that the overall power conversion efficiency decreases. We fi nd that hole-traps in the polymer, which we characterize using space-charge limited current measurements, play an important role in the performance of PCDTBT-based BHJs and may limit the active layer thickness. Recombination due to carrier trapping is not often considered in BHJs because it is not believed to be a dominant loss mechanism in the "fruit-fl y" P3HT system. Furthermore, we show that in contrast to P3HT, PCDTBT has only weak short-range molecular order, and that annealing at temperatures above the glass transition decreases the order in the π-π stacking. The decrease in structural order is matched by the movement of hole-traps deeper into the band gap, so that thermal annealing worsens hole transport in the polymer and reduces the efficiency of PCDTBTbased BHJs. These fi ndings suggest that P3HT is not prototypical of the new class of high efficiency polymers, and that further improvement of BHJ efficiencies will necessitate the study of high efficiency polymers with low structural order. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Structural, electronic, and optical properties of phenol-pyridyl boron complexes for light-emitting diodes

    Science.gov (United States)

    Zou, Lu-Yi; Ren, Ai-Min; Feng, Ji-Kang; Ran, Xue-Qin; Liu, Yan-Ling; Sun, Chia-Chung

    The coordination chemistry of polydentate chelating ligands that contain mixed pyridinephenol donor sets has been a sought-after target of study and is a possible extension to the chemistry of polypyridines. In this article, seven compounds, which are the four-coordinate boron complexes containing the mixed phenol-pyridyl group, have been studied by theoretical calculation. They can function as charge transport materials and emitters, with high efficiency and stability. To reveal the relationship between the structures and properties of these bifunctional or multifunctional electroluminescent materials, the ground and excited state geometries were optimized at the B3LYP/6-31G(d), HF/6-31G(d), and CIS/6-31G(d) levels, respectively. The ionization potentials (IPs) and electron affinities (EAs) were computed. The mobilities of hole and electron in these compounds were studied computationally based on the Marcus electron transfer theory. The lowest excitation energies, and the maximum absorption and emission wavelengths of these compounds were calculated by time-dependent density functional theory method. As a result of these calculations, the values of HOMO, LUMO, energy gaps, IPs, EAs, and the balance between the hole- and electron-transfer are greatly improved with the substitution of carbazole in compound 6. The calculated emission spectra of the seven studied molecules can almost cover the full UV-vis range (from 447.4 to 649.3 nm). Also, the Stokes shifts are unexpectedly large, ranging from 139.4 to 335.1 nm. This will result in the relatively long fluorescence lifetimes.

  4. Chitosan and chitosan chlorhydrate based various approaches for enhancement of dissolution rate of carvedilol

    Directory of Open Access Journals (Sweden)

    Shete Amol S

    2012-12-01

    Full Text Available Abstract Background and the purpose of the study Carvedilol nonselective β-adrenoreceptor blocker, chemically (±-1-(Carbazol-4-yloxy-3-[[2-(o-methoxypHenoxy ethyl] amino]-2-propanol, slightly soluble in ethyl ether; and practically insoluble in water, gastric fluid (simulated, TS, pH 1.1, and intestinal fluid (simulated, TS without pancreatin, pH 7.5 Compounds with aqueous solubility less than 1% W/V often represents dissolution rate limited absorption. There is need to enhance the dissolution rate of carvedilol. The objective of our present investigation was to compare chitosan and chitosan chlorhydrate based various approaches for enhancement of dissolution rate of carvedilol. Methods The different formulations were prepared by different methods like solvent change approach to prepare hydrosols, solvent evaporation technique to form solid dispersions and cogrind mixtures. The prepared formulations were characterized in terms of saturation solubility, drug content, infrared spectroscopy (FTIR, differential scanning calorimetry (DSC, powder X-ray diffraction (PXRD, electron microscopy, in vitro dissolution studies and stability studies. Results The practical yield in case of hydrosols was ranged from 59.76 to 92.32%. The drug content was found to uniform among the different batches of hydrosols, cogrind mixture and solid dispersions ranged from 98.24 to 99.89%. There was significant improvement in dissolution rate of carvedilol with chitosan chlorhdyrate as compare to chitosan and explanation to this behavior was found in the differences in the wetting, solubilities and swelling capacity of the chitosan and chitosan salts, chitosan chlorhydrate rapidly wet and dissolve upon its incorporation into the dissolution medium, whereas the chitosan base, less water soluble, would take more time to dissolve. Conclusion This technique is scalable and valuable in manufacturing process in future for enhancement of dissolution of poorly water soluble

  5. [National Institute for Petroleum and Energy Research] monthly progress report, August 1992

    Energy Technology Data Exchange (ETDEWEB)

    1992-10-01

    Geological and engineering data from Patrick Draw field and Almond outcrops have been electronically formatted for the initial data base on the Almond formation. In addition, a number of research areas are identified. An annotated bibliography of selected references on barrier islands, with emphasis on Patrick Draw field, Sweetwater County, WY, has been prepared. The bibliography contains more than 200 references on barrier island systems worldwide. The results of laboratory experiments indicate that surfactant-enhanced flooding has potential use for the recovery of oil from Naval Petroleum Reserve NPR No. 3 reservoirs. Because of the highly fractured nature of these reservoirs, chemical flooding is expected to be more efficient if gels are applied to improve reservoir conformance. FY92 experiments to determine surfactant/polymer interactions that might occur during field tests have been finalized. The results show that interactions do occur in mixtures containing both surfactant and polymer and that the interactions are characterized by inhomogeneity; however, this effect is not as severe in systems containing crude oil. Thermodynamic property measurements are now complete for the four-ring, nitrogen-containing aromatic compounds benzo[c]carbazole and benzo[c]phenanthridine. High-temperature heat capacity and critical property determinations by differential scanning calorimetry were started in August for a series of dimethylpyridines. Results of studies on the dimethylpyridines will provide a reliable basis for estimating the properties of a wide variety of substituted aromatic nitrogen compounds. Heat capacity and enthalpy measurements were completed for the four-ring naphthene compound, 5,6-dihydro-4H-benz[de]anthracene.

  6. Synthesis and characterization of hyaluronic acid/human-like collagen hydrogels

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jingjing; Ma, Xiaoxuan, E-mail: xiaoxuanma@163.com; Fan, Daidi, E-mail: fandaidi@nwu.edu.cn; Zhu, Chenhui; Deng, Jianjun; Hui, Junfeng; Ma, Pei

    2014-10-01

    Injectable hydrogel plays an important role in soft tissue filling and repair. We report an injectable hydrogel based on hyaluronic acid (HA) and human-like collagen (HLC), both with favorable biocompatibility and biodegradability. These two types of biomacromolecules were crosslinked with 1,4-butanediol diglycidyl ether to form a three-dimensional network. The redundant crosslinker was removed by dialysis and distillation. An HA-based hydrogel prepared by the same method was used as a control. The cytocompatibility was studied with a Cell Counting Kit-8 (CCK-8) test. Carbazole colorimetry was used to analyze the in vitro degradation rate. The histocompatibility was evaluated by hematoxylin and eosin (H and E) staining analysis and immunohistochemical analysis. The CCK-8 assay demonstrated that the HA/HLC hydrogel was less cytotoxic than the HA-based hydrogel and could promote baby hamster kidney cell (BHK) proliferation. The cell adhesion indicated that BHK could grow well on the surface of the materials and maintain good cell viability. The in vitro degradation test showed that the HA/HLC hydrogel had a longer degradation time and an excellent antienzyme ability. In vivo injection showed that there was little inflammatory response to HA/HLC after 1, 2, and 4 weeks. Therefore, the HA/HLC hydrogel is a promising biomaterial for soft tissue filling and repair. - Highlights: • Human-like collagen was used with hyaluronic acid to prepare soft tissue filling meterials. • 1,4-Butanediol diglycidyl ether (BDDE) was introduced to treat the hydrogels. • The addition of human-like collagen could improve the biological properties of hydrogels.

  7. Combination effects of AHR agonists and Wnt/β-catenin modulators in zebrafish embryos: Implications for physiological and toxicological AHR functions

    Energy Technology Data Exchange (ETDEWEB)

    Wincent, Emma [Department of Environmental Toxicology, Uppsala University, 75236 Uppsala (Sweden); Institute of Environmental Medicine, Karolinska Institutet, 17177 Stockholm (Sweden); Stegeman, John J. [Biology Department, Woods Hole Oceanographic Institution, Woods Hole, MA 02543-1050 (United States); Jönsson, Maria E., E-mail: maria.jonsson@ebc.uu.se [Department of Environmental Toxicology, Uppsala University, 75236 Uppsala (Sweden)

    2015-04-15

    Wnt/β-catenin signaling regulates essential biological functions and acts in developmental toxicity of some chemicals. The aryl hydrocarbon receptor (AHR) is well-known to mediate developmental toxicity of persistent dioxin-like compounds (DLCs). Recent studies indicate a crosstalk between β-catenin and the AHR in some tissues. However the nature of this crosstalk in embryos is poorly known. We observed that zebrafish embryos exposed to the β-catenin inhibitor XAV939 display effects phenocopying those of the dioxin-like 3,3′,4,4′,5-pentachlorobiphenyl (PCB126). This led us to investigate the AHR interaction with β-catenin during development and ask whether developmental toxicity of DLCs involves antagonism of β-catenin signaling. We examined phenotypes and transcriptional responses in zebrafish embryos exposed to XAV939 or to a β-catenin activator, 1-azakenpaullone, alone or with AHR agonists, either PCB126 or 6-formylindolo[3,2-b]carbazole (FICZ). Alone 1-azakenpaullone and XAV939 both were embryo-toxic, and we found that in the presence of FICZ, the toxicity of 1-azakenpaullone decreased while the toxicity of XAV939 increased. This rescue of 1-azakenpaullone effects occurred in the time window of Ahr2-mediated toxicity and was reversed by morpholino-oligonucleotide knockdown of Ahr2. Regarding PCB126, addition of either 1-azakenpaullone or XAV939 led to lower mortality than with PCB126 alone but surviving embryos showed severe edemas. 1-Azakenpaullone induced transcription of β-catenin-associated genes, while PCB126 and FICZ blocked this induction. The data indicate a stage-dependent antagonism of β-catenin by Ahr2 in zebrafish embryos. We propose that the AHR has a physiological role in regulating β-catenin during development, and that this is one point of intersection linking toxicological and physiological AHR-governed processes.

  8. Photo-oxidation products of skin surface squalene mediate metabolic and inflammatory responses to solar UV in human keratinocytes.

    Directory of Open Access Journals (Sweden)

    Vladimir Kostyuk

    Full Text Available UNLABELLED: The study aimed to identify endogenous lipid mediators of metabolic and inflammatory responses of human keratinocytes to solar UV irradiation. Physiologically relevant doses of solar simulated UVA+UVB were applied to human skin surface lipids (SSL or to primary cultures of normal human epidermal keratinocytes (NHEK. The decay of photo-sensitive lipid-soluble components, alpha-tocopherol, squalene (Sq, and cholesterol in SSL was analysed and products of squalene photo-oxidation (SqPx were quantitatively isolated from irradiated SSL. When administered directly to NHEK, low-dose solar UVA+UVB induced time-dependent inflammatory and metabolic responses. To mimic UVA+UVB action, NHEK were exposed to intact or photo-oxidised SSL, Sq or SqPx, 4-hydroxy-2-nonenal (4-HNE, and the product of tryptophan photo-oxidation 6-formylindolo[3,2-b]carbazole (FICZ. FICZ activated exclusively metabolic responses characteristic for UV, i.e. the aryl hydrocarbon receptor (AhR machinery and downstream CYP1A1/CYP1B1 gene expression, while 4-HNE slightly stimulated inflammatory UV markers IL-6, COX-2, and iNOS genes. On contrast, SqPx induced the majority of metabolic and inflammatory responses characteristic for UVA+UVB, acting via AhR, EGFR, and G-protein-coupled arachidonic acid receptor (G2A. CONCLUSIONS/SIGNIFICANCE: Our findings indicate that Sq could be a primary sensor of solar UV irradiation in human SSL, and products of its photo-oxidation mediate/induce metabolic and inflammatory responses of keratinocytes to UVA+UVB, which could be relevant for skin inflammation in the sun-exposed oily skin.

  9. Alkyl Naphthalenes and Phenanthrenes: Molecular Markers for Tracing Filling Pathways of Light Oil and Condensate Reservoirs

    Institute of Scientific and Technical Information of China (English)

    LI Meijun; WANG Tieguan; LIU Ju; ZHANG Meizhu; LU Hong; MA Qinglin; GAO Lihui

    2010-01-01

    Condensates and light oils are generally characterized by high maturity,low concentration of sterane and terpane biomarkers and low content of non-hydrocarbon fraction.As a result,some commonly-used sterane,terpane and carbazole migration parameters in conventional oil reservoirs may have a certain limitation in condensate and light oil reservoirs for their poor signal-noise ratios in the gas chromatography-mass spectrometry(GC-MS).Naphthalene,phenanthrene and their methylated substituents,however,are present in significant concentrations in condensates and light oils.Taking the Fushan depression(in the Beibuwan Basin,Northern South China Sea)as an example,this paper attempts for the first time to use polycyclic aromatic hydrocarbon(PAH)-related parameters to trace migration directions and filling pathways for condensate and light oil reservoirs.The result shows that TMNr(i.e.1,3,7-TMN/(1,3,7-TMN+1,2,5-TMN),TMN: trimethylnaphthalene)),MPI-1(i.e.1.5×(2-MP+3-MP)/(P+1-MP+9-MP),P: phenanthrene MP: methylphenanthrene),MN/DMN(Σmethylnaphthalene/Σdimethylnaphthalene,%)and MN/TMN(Σmethylnaphthalene/Σtrimethylnaphthalene,%)can be used to trace the filling pathways of condensate and light oil reservoirs.These parameters,together with geological consideration and other bulk oil properties(e.g.the gas to oil ratio and density),suggest that the condensates and light oils in the Huachang oil and gas field are mainly sourced from the Bailian sag that is located to the northeast of the Huachang uplift in the Fushan depression.

  10. Claulansine F promoted the neuronal differentiation of neural stem and progenitor cells through Akt/GSK-3β/β-catenin pathway.

    Science.gov (United States)

    Huang, Ju-Yang; Ma, Yin-Zhong; Yuan, Yu-He; Zuo, Wei; Chu, Shi-Feng; Liu, Hang; Du, Guan-Hua; Zhang, Dong-Ming; Chen, Nai-Hong

    2016-09-01

    The persistence of neurogenesis raises the idea that neurons produced by the resident or transplanted neural stem cells could replace the neurons lost from brain injury or neurodegenerative disease. Therefore, compounds or methods for promoting neuronal differentiation become the focus of neurodegenerative disease therapy research. Claulansine F (Clau F), a newly discovered carbazole alkaloid, has been showed to induce neuritogenesis in PC12 cells. Herein, we studied the effect of Clau F on neuronal differentiation of neural stem/progenitor cells (NS/PCs). The current study demonstrated that Clau F initiated neuronal differentiation with a significant increase of TuJ1-positive cells and TuJ1 protein levels. We also found that Clau F promoted the maturity and sustainability of neurons by increasing MAP2-positive cells and MAP2 protein levels. At the same time, Clau F significantly inhibited the proliferation of NS/PCs. The underlying mechanism of Clau F was preliminary explored. Clau F treatment resulted in a profound increase of phosphorylation of Akt and GSK-3β, which led to GSK-3β inhibition and subsequently the nuclear accumulation of β-catenin. Further, the interaction between β-catenin and p300 in the nucleus was enhanced and the transcription of p300/β-catenin responsive genes were increased significantly (c-jun, fra-1) by Clau F. Importantly, the positive effect of Clau F on neuronal differentiation was abolished by Akti-1/2, a specific inhibitor of Akt-1/2 kinase, which indicated the involvement of Akt/GSK-3β in Clau F-mediated neuronal differentiation. In conclusion, these data suggested that Clau F promoted neuronal differentiation through Akt/GSK-3β/β-catenin signaling pathway in NS/PCs.

  11. Environmental fate and effect assessment of thioridazine and its transformation products formed by photodegradation.

    Science.gov (United States)

    Wilde, Marcelo L; Menz, Jakob; Trautwein, Christoph; Leder, Christoph; Kümmerer, Klaus

    2016-06-01

    An experimental and in silico quantitative structure-activity relationship (QSAR) approach was applied to assess the environmental fate and effects of the antipsychotic drug Thioridazine (THI). The sunlight-driven attenuation of THI was simulated using a Xenon arc lamp. The photodegradation reached the complete primary elimination, whereas 97% of primary elimination and 11% of mineralization was achieved after 256 min of irradiation for the initial concentrations of 500 μg L(-1) and 50 mg L(-1), respectively. A non-target approach for the identification and monitoring of transformation products (TPs) was adopted. The structure of the TPs was further elucidated using liquid chromatography-high resolution mass spectrometry (LC-HRMS). The proposed photodegradation pathway included sulfoxidation, hydroxylation, dehydroxylation, and S- and N-dealkylation, taking into account direct and indirect photolysis through a self-sensitizing process in the higher concentration studied. The biodegradability of THI and photolytic samples of THI was tested according to OECD 301D and 301F, showing that THI and the mixture of TPs were not readily biodegradable. Furthermore, THI was shown to be highly toxic to environmental bacteria using a modified luminescent bacteria test with Vibrio fischeri. This bacteriotoxic activity of THI was significantly reduced by phototransformation and individual concentration-response analysis confirmed a lowered bacterial toxicity for the sulfoxidation products Thioridazine-2-sulfoxide and Thioridazine-5-sulfoxide. Additionally, the applied QSAR models predicted statistical and rule-based positive alerts of mutagenic activities for carbazole derivative TPs (TP 355 and TP 339) formed through sulfoxide elimination, which would require further confirmatory in vitro validation tests. PMID:27020046

  12. 印度传统药用植物可因氏越橘的研究综述%An update on Murraya koenigii Spreng:a multifunctional Ayurvedic herb

    Institute of Scientific and Technical Information of China (English)

    Priyanka Gupta; Alok Nahata; Vinod K. Dixit

    2011-01-01

    可因氏越橘又名调料九里香(Murra ya koenigii,芸香科,九里香属),是一种常用的药用植物,在印度阿育吠陀医学中有数百年的使用历史.这种植物的叶子、果实、根及树皮均富含咔唑生物碱.已有的很多研究报道这些生物碱具有多种药理活性如抗肿瘤、抗病毒、抗炎、止泻、利尿、抗氧化等.除了这些药理活性,该植物还具有多种多样的生物活性.可因氏越橘作为一种能够治疗多种疾病的有价值的药用植物,有关其植物化学及药理学的研究数量众多,因此有必要对其作一系统的综述.本文对有关可因氏越橘的植物化学、药理学、临床及基础研究进行了系统的整理,以期更全面地发掘其作为药用植物的价值.%Murraya koenigii Spreng (Rutaceae),a medicinally important herb of Indian origin,has been used for centuries in the Ayurvedic system of medicine.Leaves,fruits,roots and bark of this plant are a rich source of carbazole alkaloids.These alkaloids have been reported for their various pharmacological activities such as antitumor,antiviral,anti-inflammatory,antidiarrhoeal,diuretic and antioxidant activities.Apart from these activities,the plant is reported to possess a wide spectrum of biological activities.Phytochemistry and pharmacology of this plant make a demand of an exhaustive review of its potential as a valuable therapeutic agent for the treatment and management of various ailments frequently affecting humans.The present review gives a detailed description of the phytochemical,pharmacological,clinical and pre-clinical works carried out on this medicinal herb and also throws light on its therapeutic potential.

  13. Ultrafast carrier photogeneration dynamics in polymer: fullerene solar cells probed by photocurrent-detected two-dimensional coherence spectroscopy (Presentation Recording)

    Science.gov (United States)

    Silva, Carlos

    2015-08-01

    delay between the pulses 1 and 2, as well as that between pulses 3 and 4 (coherence times), at a fixed delay between pulses 2 and 3 (population waiting time), one measures a two-dimensional coherence decay function that is Fourier transformed to produce a 2D photocurrent correlation excitation spectrum. Measurement of such spectra at different population waiting times provides insight into the role of spectral correlations and state coherence in photocurrent generation in such complex functional materials. We focus on solar cells produced by blends of a common carbazole-thiophene-benzothiadiazole polymer, PCDTBT (the donor polymer), and PCBM (the fullerene acceptor), in which we analyse the dynamics of total photocurrent generation via the time evolution of diagonal and off-diagonal spectral correlations. We address the role of vibronic coherence as well as resonant tunneling in charge separation pathways on ultrashort timescales.

  14. Characteristics of Oil Sources from the Chepaizi Swell,Junggar Basin,China

    Institute of Scientific and Technical Information of China (English)

    LIU Luofu; MENG Jianghui; ZHOU Jieli; LIU Guodong; KUANG Jun; WANG Ping; CHEN Zhijun; WANG Weibin; ZHAO Yande; WU Lin; JIN Jun; WANG Weili

    2010-01-01

    So far there has been no common opinion on oil source of the Chepaizi swell in the Junggar Basin.Therefore,it is difficult to determine the pathway system and trend of hydrocarbon migration,and this resulted in difficulties in study of oil-gas accumulation patterns.In this paper,study of nitrogen compounds distribution in oils from Chepaizi was carried out in order to classify source rocks of oils stored in different reservoirs in the study area.Then,migration characteristics of oils from the same source were investigated by using nitrogen compounds parameters.The results of nitrogen compounds in a group of oil/oil sand samples from the same source indicate that the oils trapped in the Chepaizi swell experienced an obvious vertical migration.With increasing migration distance,amounts and indices of carbazoles have a regular changing pattern(in a fine linear relationship).By using nitrogen compounds techniques,the analyzed oil/oil sand samples of Chepaizi can be classified into two groups.One is the samples stored in reservoir beds of the Cretaceous and Tertiary,and these oils came from mainly Jurassic source rock with a small amount of Cretaceous rock; the other is those stored in the Jurassic,Permian and Carboniferous beds,and they originated from the Permian source.In addition,a sample of oil from an upper Jurassic reservoir(Well Ka 6),which was generated from Jurassic coal source rock,has a totally different nitrogen compound distribution from those of the above-mentioned two groups of samples,which were generated from mudstone sources.Because of influence from fractionation of oil migration,amounts and ratios of nitrogen compounds with different structures and polarities change regularly with increasing migrating distance,and as a result the samples with the same source follow a good linear relationship in content and ratio,while the oil samples of different sources have obviously different nitrogen compound distribution owing to different organic matter types

  15. Does glucose enhance the formation of nitrogen containing polycyclic aromatic compounds and polycyclic aromatic hydrocarbons in the pyrolysis of proline?

    Energy Technology Data Exchange (ETDEWEB)

    Phillip F. Britt; A.C. Buchanan; Clyde V. Owens, Jr.; J. Todd Skeen [Oak Ridge National Laboratory, Oak Ridge, TN (United States). Chemical and Analytical Sciences Division

    2004-08-01

    The gas-phase pyrolysis of proline, glucose, 1-((2{prime}-carboxy)pyrrolidinyl)-1-deoxy-D-fructose (the proline Amadori compound), and a 1:1 mixture by weight of proline and glucose was investigated at high temperatures (600-840{sup o}C) and short residence time (i.e. 1.0 s) in an inert atmosphere to determine if glucose or Maillard reaction products enhance the formation of nitrogen containing polycyclic aromatic compounds (N-PACs) and polycyclic aromatic hydrocarbons (PAHs) in the pyrolysis of proline. To study the gas-phase formation of N-PACs and PAHs, the substrates were sublimed into the pyrolysis furnace at 460{sup o}C. Thermogravimetric analysis showed that glucose, the proline/glucose mixture, and the proline Amadori compound undergo solid-state decomposition reactions before subliming. Thus, the substrates were pyrolyzed in two stages: at 460{sup o}C during the sublimation and at 600-840{sup o}C. At 800{sup o}C with a residence time of 1.0 s, proline produced low yields of N-PACs, such as quinoline, isoquinoline, indole, acridine, and carbazole, and PAHs, such as phenanthrene, pyrene, benz(a)anthracene, benzofluoranthene isomers, and benzo(a)pyrene. Increasing the temperature and residence time increased the yield of these products. Under similar pyrolysis conditions, the proline Amadori compound produced 2-8 fold more N-PACs and PAHs than proline. A 1:1 mixture of proline and glucose produced a similar slate of pyrolysis products as the proline Amadori compound, but it is unclear whether the proline Amadori compound was an intermediate in the reaction. In general, the proline Amadori compound produced a higher yield of N-PACs and PAHs than the proline/glucose mixture, but glucose clearly enhances the low temperature gas-phase formation of N-PACs and PAHs from the pyrolysis of proline. 56 refs., 10 figs., 3 tabs.

  16. Studies on Polysaccharide of Cynomorium songaricum Rupr.%锁阳多糖的研究

    Institute of Scientific and Technical Information of China (English)

    张思巨; 张淑运; 扈继萍

    2001-01-01

    目的:对中药锁阳中活性总多糖进行研究。方法:Sephadex G-100和G-150凝胶柱色谱纯化多糖;高效凝胶渗透色谱法测定多糖纯度和分子量;PC,TLC及GC法测定中性糖组成;咔唑法测定糖醛酸含量。结果:SYP-A和SYP-B的分子量分别为3.1×105和2.8×105。中性单糖组成均为半乳糖、葡萄糖、阿拉伯糖、鼠李糖、甘露糖和核糖,摩尔比SYP-A为5.1∶4.1∶1.6∶1.0∶0.5∶0.3,SYP-B为5.2∶4.2∶1.5∶1.0∶0.5∶0.2。糖醛酸含量分别为10.7%和10.5%。结论:SYP-A和SYP-B为均一的酸性杂多糖。%Objective:To study the acidic heteropolysac charides of Cynomorium songaricum.Method:The polysaccharides were purified by Sephadex G-100 and G-150 gel column chromatography.Purity and molecular weight of the polysaccharides were determined by high performance gel permeation chromatography; neutral sugars composition were identified by PC, TLC and GC. Uronic acids were determined by carbazole method.Result:The molecular weight of SYP-A and SYP-B were estimated to be 3.1×105 and 2.8×105 respectively, and neutral sugars were composed of galactose, glucose, arabinose, rhamnose, mannose and ribose. The molar ratio for SYP-A and SYP-B were 5.1∶4.1∶1.6∶1.0∶0.5∶0.3 and 5.2∶4.2∶1.5∶1.0∶0.5∶0.2 respectively, The contents of uronic acids were 10.7% and 10.5% respectively.Conclusion:SYP-A and SYP-B are homogeneous acidic heteropolysaccharides.

  17. Photo-Crosslinking of Pendent Uracil Units Provides Supramolecular Hole Injection/Transport Conducting Polymers for Highly Efficient Light-Emitting Diodes

    Directory of Open Access Journals (Sweden)

    Hsi-Kang Shih

    2015-04-01

    Full Text Available A new process for modifying a polymeric material for use as a hole injection transport layer in organic light-emitting diodes has been studied, which is through 2π + 2π photodimerization of a DNA-mimetic π-conjugated poly(triphenylamine-carbazole presenting pendent uracil groups (PTC-U under 1 h of UV irradiation. Multilayer florescence OLED (Organic light-emitting diodes device with the PTC-U-1hr as a hole injection/transport layer (ITO (Indium tin oxide/HITL (hole-injection/transport layer (15 nm/N,N'-di(1-naphthyl- N,N'-diphenyl-(1,1'-biphenyl-4,4'-diamine (NPB (15 nm/Tris-(8-hydroxyquinoline aluminum (Alq3 (60 nm/LiF (1 nm/Al (100 nm is fabricated, a remarkable improvement in performance (Qmax (external quantum efficiency = 2.65%, Bmax (maximum brightness = 56,704 cd/m2, and LE (luminance efficiencymax = 8.9 cd/A relative to the control PTC-U (Qmax = 2.40%, Bmax = 40,490 cd/m2, and LEmax = 8.0 cd/A. Multilayer phosphorescence OLED device with the PTC-U-1hr as a hole injection/transport layer (ITO/HITL (15 nm/Ir(ppy3:PVK (40 nm/BCP (10nm/Alq3 (40 nm/LiF (1 nm/Al (100 nm is fabricated by successive spin-coating processes, a remarkable improvement in performance (Qmax = 9.68%, Bmax = 41,466 cd/m2, and LEmax = 36.6 cd/A relative to the control PTC-U (Qmax = 8.35%, Bmax = 34,978 cd/m2, and LEmax = 30.8 cd/A and the commercial product (poly(3,4-ethylenedioxythiophene:polystyrenesulfonate PEDOT:PSS (Qmax = 4.29%, Bmax = 15,678 cd/m2, and LEmax = 16.2 cd/A has been achieved.

  18. 1,8-二(2-吡咯酰胺)-3,6-二氯咔唑的合成、晶体结构及阴离子识别研究%Synthesis, Crystal Structure and Anion Recognition of 1,8-Di(pyrrole-2-carboxamino)-3,6-dichlorocarbazole

    Institute of Scientific and Technical Information of China (English)

    苏冬冬; 牛浩涛; 王莹; 何家骐; 程津培

    2009-01-01

    设计并合成了1,8-二(2-吡咯酰胺)-3,6-二氯咔唑化合物(1), 利用X射线单晶衍射研究了该化合物的固态结构. 利用荧光和紫外-可见光谱技术及 1H NMR滴定法研究了其对阴离子的识别. 研究结果表明, 化合物1对H_2PO~-_4离子有较强的识别能力, 且对H_2PO~-_4离子有明显的荧光增强效应, 可用来识别H_2PO~-_4离子. 同时~1H NMR滴定结果显示, 化合物1在阴离子识别过程中发生了构型转化.%Due to the fundamental roles that anions play in a wide range of chemical and biological processes, numerous efforts have been devoted to the design of receptors capable of selectively binding and sensing anions. Herein, carbazole derivative (1) bearing two model amides was synthesized by coupling 1,8-diamino-3 ,6-dichlorocarbazole with pyrrole-2-carbonylchloride in the presence of triethylamine. The structure of compound 1 was characterized by X-ray crystallography. The anions recognition of the compound 1 was studied by the UV-Vis and fluorescent spectra method in highly polar solvent of DMSO. The results show that strong anion binding is observed for H_2PO_4~-. Obvious fluorescence "switched on" behavior is observed upon addition of H_2PO_4~- to receptor 1, which can be used to discriminate H_2PO_4~- from the other anions. 'H NMR analysis revealed that all the five NH of receptor 1 were involved in the hydrogen bonding interactions with the anions leading to a conformation exchange during the anion binding.

  19. PARP1 impact on DNA repair of platinum adducts: preclinical and clinical read-outs.

    Science.gov (United States)

    Olaussen, Ken A; Adam, Julien; Vanhecke, Elsa; Vielh, Philippe; Pirker, Robert; Friboulet, Luc; Popper, Helmut; Robin, Angélique; Commo, Fréderic; Thomale, Jürgen; Kayitalire, Louis; Filipits, Martin; Le Chevalier, Thierry; André, Fabrice; Brambilla, Elisabeth; Soria, Jean-Charles

    2013-05-01

    Evaluation of DNA repair proteins might provide meaningful information in relation to prognosis and chemotherapy efficacy in Non-Small Cell Lung Cancer (NSCLC) patients. The role of Poly(ADP-Ribose) Polymerase (PARP) in DNA repair of platinum adducts has not been firmly established. We used a DNA repair functional test based on antibody recognition of cisplatin intrastrand platinum adducts on DNA. We evaluated the effect of PARP inhibition on DNA repair functionality in a panel of cisplatin cell lines treated by the clinical-grade pharmacological inhibitor CEP8983 (a 4-methoxy-carbazole derivate) and the commercially available inhibitor PJ34 (phenanthridinone). We determined PARP1 protein expression in whole tumor sections from the International Adjuvant Lung cancer Trial (IALT)-bio study and tested a 3-marker PARP1/MSH2/ERCC1 algorithm combining PARP1 tumor status with previously published data. Chemosensitivity of cisplatin in NSCLC cell lines was correlated with the accumulation of cisplatin DNA adducts (P=0.0004). Further, the pharmacological inhibition of PARP induced a 1.7 to 2.3-fold increase in platinum adduct accumulation (24h) in A549 cell line suggesting a slow-down of platinum DNA-adduct repair capacity. In parallel, PARP1 inhibition increased the sensitivity to cisplatin treatment. In patient samples, PARP1 expression levels did not influence patient survival or the effect of platinum-based post-operative chemotherapy in the global IALT-bio population (interaction P=0.79). Among cases with high expression of all three markers (triple positive), untreated patients had prolonged survival with a median DFS of 7.8 years, (HR=0.34, 95%CI [0.19-0.61], adjusted P=0.0003) compared to triple negative patients (1.4 years). Remarkably, triple positive patients suffered from a detrimental effect (4.9-year reduction of median DFS) by post-operative cisplatin-based chemotherapy (HR=1.79, 95%CI [1.01-3.17], adjusted P=0.04, chemotherapy vs. control). Combinatorial

  20. Utilizing copper(I) catalyzed azide-alkyne Huisgen 1,3-dipolar cycloaddition for the surface modification of colloidal particles with electroactive and emissive moieties

    Science.gov (United States)

    Rungta, Parul

    The development of charge-transporting and fluorescing colloidal particles that can be directly printed into electroluminescent devices may result in a broad impact on the use of electrical energy for illumination. The objective of this work was to design and synthesize electroactive & fluorescing colloidal particles; establish their optical, electronic, and thermodynamic properties; and transition them into a device format for potential applications. The original intended application of this work was to build "better" colloidally-based organic light emitting devices (OLEDs) by creating functional particles with superior electrical and optical performance relative to commercially available technologies, but through the course of the research, the particles that were developed were found to be better suited for medical applications. Nonetheless, the global objective envisioned at the onset of this research was consistent with its final outcomes. The research tasks pursued to accomplish this global objective included: (1) The design and synthesis of electroactive moieties and their conversion into organic light emitting devices; An electron-transporting monomer was synthesized that was structurally & energetically similar to the small molecule 2-biphenyl-4-yl-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (tBu-PBD). The monomer was copolymerized with 2-(9H-carbazol-9-yl)ethyl 2-methylacrylate (CE) and the resulting copolymer was utilized in OLEDs which employed fluorescent coumarin 6 (C6) or phosphorescent tris(2-phenylpyridine)iridium(III) [Ir(ppy)3] emitters. The copolymer devices exhibited a mean luminance of ca. 400 and 3,552 cd/m2 with the C6 and Ir(ppy)3 emitters, that were stable with thermal aging at temperatures ranging from 23°C to 130°C. Comparable poly(9-vinyl-9H-carbazole)/tBu-PBD blend devices exhibited more pronounced variations in performance with thermal aging. (2) The surface-modification of colloids with electroactive & fluorescing moieties via "click

  1. Interface Modifications for Applications in Organic and Hybrid Photovoltaics

    Science.gov (United States)

    Mazzio, Katherine A.

    Considerable research has been conducted in the area of organic photovoltaics due to several intrinsic advantages, including their high throughput solution processability, light weight, and their applicability on flexible substrates. Product development has been limited, however, due to the low mobilities and short exciton diffusion lengths of organic materials relative to inorganic materials used for photovoltaics. In this dissertation, we look at interfacial phenomena in attempt to control the charge transport dynamics in different parts of photovoltaic systems. The first chapter provides an overview of the field of organic photovoltaics, including their benefits, operating procedures, and a brief history of materials and device development. Chapter 2 examines some donor-acceptor small molecules as the electron donors in all organic bulk heterojunction solar cells with soluble fullerene derivatives as the electron acceptors. The donor-acceptor small molecules are unique because their energy levels agree well with the theoretical optimal HOMO and LUMO energy levels required for high efficiency organic photovoltaics. Even with energy level matching, however, we found that we were only able to obtain modest device efficiencies due to the formation of large domains that are greater than the exciton diffusion length and result in large interfacial areas. In chapter 3 we examine some of the optical, physical, and charge transport properties of a series of fully conjugated brush copolymers that are comprised of a carbazole-diketopyrrolorpyrrole donor-acceptor backbone copolymerized with different lengths of poly(3-hexylthiophene) pendant chains. It was found that there was a sufficient break in conjugation between the two copolymers such that the absorbance characteristics of both could be realized independently. In addition, the physical and charge transport properties could be tuned to primarily show influence from either the ambipolar low band gap backbone or the p

  2. Saturated Red Polymer Electrophosphorescent Devices with meso-Tetrakis (4-n-decanoyl-phenyl) Porphyrin Platinum (Ⅱ) Complex as Emitter%掺杂meso-四(对葵酰氧基苯基)卟啉铂的饱和红色聚合物发光器件

    Institute of Scientific and Technical Information of China (English)

    骆开均; 蒋世平; 张藜芳; 朱卫国; 王欣

    2011-01-01

    在聚2,7-(9,9-二辛基)芴(PFO)和30%的2-(对联苯基)-5-(对叔丁基苯基)-1,3,4-(噁)二唑(PBD)主体材料中掺杂短磷光寿命的meso-四(对正葵酰氧基苯基)卟啉铂(TDPPPt),制成聚合物基发光器件.器件结构为:ITO/PEDOT:PSS/PVK/PFO+ 30% PBD:TDPPPt/Ca/Al(ITO:氧化铟锡;PE DOT:聚3,4-乙撑二氧噻吩;PSS:聚苯乙烯磺酸盐;PVK:聚乙烯基咔唑).当客体掺杂浓度≥3%时,器件给出饱和的红色发射.当驱动电压从7V升高至14 V时,器件发光色度保持不变,CIE(国际发光照明委员会)色坐标稳定在(0.66,0.28)左右.器件的最大亮度和电流效率分别为1 390 cd/m2和1.34 cd/A.在电流密度100×10-3和150×10-3 A/cm2时,电流效率分别为1.18和0.99 cd/A,器件在高电流密度下具有良好的稳定性.%The saturated red polymer electrophosphorescent devices have been fabricated. With the device structures of ITO/PEDOT: PSS/PVK/PFO + 30% PBD: TDPPPt/Ca/Al (ITO:indium tin oxide, PEDOT: poly(3 ,4-ethylenedioxythiophene) , PSS: poly ( styrenesulfonate),PVKtpoly /V-vinyl carbazole) , based on short lifetime meso-tetrakis(4-n-decanoyl-phenyl) porphyrin platinum(H) complex(TDPPPt) and poly(2,7-9,9-dioctylfluorene ) ( PFO ) in which 30% 2-( bi-phenyl-4-yl) -5-( 4-tert-butylphenyl ) -1, 3 , 4-oxadiazole (PBD) was doped. The saturated red emission is obtained when doping concentration of TDPPPt is 3% ~ 10%. The CIE (Commission Internationale de L' Eclairage) coordinates of the device is about at (0. 66, 0. 28) and unchangeable when driven voltage increases from 7 V to 14 V. The maximum luminance and luminance efficiency (η1) is 1 390 cd/m2 at 18 V and 1.34 cd/A at 18 x 10-3 A/cm2, respectively. Furthermore, the devices show excellent stability under high driven current density. Η1 only drops to 88% and 73% of maximum efficiency at 100 X 10~3 A/cm2, and 150 X 10-3 A/cm2, respectively. We tentatively attribute excellent devices stability under high driven current density to the short

  3. 杜仲叶多糖的提取分离、抗补体活性及结构研究%Isolation, Anti-complement Activities, and Chemical Structures of Polysaccharide from Eucommia ulmoides Leaves

    Institute of Scientific and Technical Information of China (English)

    张学俊; 伊廷金; 孙黔云; 张文坤; 闫银萍; 龚桂珍; 宫本红

    2011-01-01

    After removal of resin and gutta percha under petroleum ether reflux,Eucommia ulmoides Leaves were decocted with distilled water and the extract was concentrated and fractionally precipitated by adding the one-fold,two-fold and three-fold volumes of alcohol to obtain three groups of crude polysaccharides,PsEULl ,PsEUL2,and PsEUL3. Of them, the group of polysaccharides,PsEULl ,was decolourized on a macro-porous resin (S-8) column and deproteinized using Sevag reagent. After dialysis,the refined PsEUL3 was applied to a diethylaminoethyl (DEAE)-cellulose anion exchange column and isolated into three monomeric polysaccharides, PsEULl1, PsEULl 2, and PsEULl 3, The assays of anti-complement activities indicated many fractions of polysaccharides have different extent of inhibitory activities with dose-effect relationships. PsEULl3 was demonstrated to be an acidic polysaccharide by reacting with sulfuric acid and carbazole, containing 21.2% of uronic acid. The gas chromatography revealed that it was composed of L-rhamnose, D-fucose, D-ar-abinose, D-xylose, D-glucose and D-galactose besides uronic acid, their percentage composition being 11. 8,1.6,37. 7, 4.2,10.7 and 12.8,respectively.%经石油醚脱脂、除胶后,采用热水提取、分步醇沉工艺获得杜仲叶水溶性多糖PsEUL1、PsEUL2、PsEUL3,分别经S-8大孔树脂脱色,Sevag法脱蛋白及透析,其中PsEUL1经DEAE-52纤维素柱层析分离得多糖组分PsEUL1、PsEUL12 、PsEUL13,抗补体活性实验表明,其中有多个组分有不同程度的抗补体活性,并呈一定的剂量效应关系.活性多糖PsEUL13经硫酸-咔唑反应及气相色谱法测定,单糖组成为:L-鼠李糖、D-岩藻糖、D-阿拉伯糖、D-木糖、D-葡糖糖、D-半乳糖、糖醛酸,含量比为11.8∶1.6∶37.7∶4.2∶10.7∶12.8∶21.2.

  4. High efficiency semitransparent polymer solar cells based on PCDTBT:PC71BM%基于PCDTBT:PC71BM的半透明高效聚合物太阳能电池

    Institute of Scientific and Technical Information of China (English)

    杨少鹏; 韩凌洁; 赵艳新; 江涛; 杨启满; 李晓苇; 傅广生

    2012-01-01

    通过在聚合物电池内部加入Ag半透明增反膜,构建光学谐振腔,实现了光线在Ag薄层和金属电极之间的多次反射.这样可增加活性层对光的吸收,提高量子效率,进而大幅度提高短路电流,优化电池性能.实验中使用具有较低能带结构和宽吸收光谱的新型聚合物PCDTBT作为电子给体材料和PC71BM作为电子受体材料,通过控制薄膜生长过程和优化膜层厚度使转化效率达到5.08%.在此基础上,加入Ag作为半透明增反层,促使光线在Ag薄层和金属电极之间往复反射传输,大幅提高量子效率和短路电流.通过改变Ag薄层的厚度获得最大的短路电流密度和光电转换效率,实验得出当Ag厚度为8 nm时,短路电流达到最大15.0 mA/cm2,光电转换效率达到6.03%,从而达到了半透明增反层大幅提高电池性能的目的.%We achieved good performance of polymer solar cells (PSCs) with the construction of an optical resonant cavity through inserting a silver (Ag) semitransparent enhancement reflection layer. Compared to P3HT, a electron donor material with lower band-gap and wider absorption spectra, poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2'1',3'-benzothiadiazole)] (PCDTBT), was used in bulk heterojunction combined with the electron acceptor material [6,6]-phenyl C71-butyric acid methyl ester (PC71BM). The performance of PCDTBT:PC71 BM PSCs exhibited a power conversion efficiency (PCE) of 5.08% by controlling the growth rate and optimizing the thickness of active layers. On this basis, we inserted a Ag layer between 1TO and PEDOT:PSS. Thus lights make round trips between the thin film of Ag and the metal electrode which leads to higher external quantum efficiency (EQE) together with a remarkable increase of short circuit current (Jsc). Then we optimized the thickness of Ag layer, and PCE was improved to 6.03% when Jsx. Was 15.0 mA/cm2. This demonstrates that by building an optical resonant cavity

  5. MCM-41-supported cobalt-molybdenum catalysts for deep hydrodesulfurization of diesel and jet fuel feedstocks

    Science.gov (United States)

    Turaga, Uday Tsrpr

    Regulatory issues require new catalysts for the deep hydrodesulfurization (HDS) of refractory polyaromatic sulfur compounds such as 4,6-dimethyldibenzothiophene (4,6-DMDBT) present in diesel and jet fuel. Molybdenum sulfide (MoS2 ) supported on mesoporous molecular sieve MCM-41 and promoted by cobalt was hypothesized to have superior activity for deep HDS because of MCM-41's (1) high surface area and uniform mesopores and (2) superior acidity as compared to conventional supports such as gamma-alumina (gamma-Al 2O3). This study examines the role of MCM-41 as a support for new cobalt (Co)-molybdenum (Mo) HDS catalysts. At CoO-MoO3 loadings typical of commercially available HDS catalysts, MCM-41-supported catalysts were only slightly better. At higher loadings---27.0% (by weight) MoO3 and 5.8% CoO---MCM-41-supported catalysts were twice more active than the commercial catalyst. This difference in activities is related to the degree of MoS2 stacking. Remarkable increase in the conversion of 4,6-DMDBT was observed over MCM-41-supported catalysts with decreasing SiO2/Al2O 3 ratio. More significantly, the SiO2/Al2O 3 ratio of MCM-41 has a profound effect on product distribution and catalyst selectivity. Irrespective of CoO-MoO3 loading, catalysts using MCM-41 with a SiO2/Al2O3 ratio of 50 convert more of 4,6-DMDBT through the highly desirable hydrogenolysis pathway. The acidity of these catalysts was measured and correlated to their selectivities for hydrogenolysis and hydrocracking. Co-Mo/MCM-41 continued to demonstrate activities twice that of the commercial catalyst for the HDS of 4,6-DMDBT in petroleum-derived feedstocks such as light cycle oil. However, for a blend of coal- and petroleum-derived feedstocks, nitrogen from the coal-derived liquid inhibited both catalysts for the HDS of 4,6-DMDBT. Basic nitrogen, e.g., quinoline, significantly retards the HDS of 4,6-DMDBT over both catalysts. Non-basic carbazole, on the other hand, inhibited the MCM-41-supported

  6. Local and Long-Range Hybrid Density Functional Study on an Organic Light-Emitting Molecule with Pull-Push Structure%局域和长程杂化密度泛函研究推拉结构有机发光分子

    Institute of Scientific and Technical Information of China (English)

    刘小君; 王宁; 程浩

    2011-01-01

    用含时密度泛函方法研究了具有推拉结构的有机发光材料3-(二氰亚甲基)-5,5-二甲基-1-(4-[9-咔唑基]-苯乙烯基)环己烯(DCDCC)的吸收和荧光光谱,并考虑了溶剂效应.通过与实验光谱的比较,重点评价了包括局域和长程在内的8种交换泛函.结果表明泛函的选择对结果的可靠性至关重要,在密度泛函和含时密度泛函理论框架下,包含44%Hartree Fock交换泛函的BMK杂化函数联同连续极化模型和中等大小的基组最适合研究DCDCC分子的光谱性质.此外,尽管DCDCC分子内电荷转移并没有强致发出双荧光,但仍然可以用平面分子内电荷转移和扭转分子内电荷转移模型解释DCDCC激发态的结构.BMK泛函计算的结果表明DCDCC的激发态结构支持平面分子内电荷转移模型.%The absorption and fluorescence spectra of 3-(dicyanomethylene)-5,5-dimethyl-1-(4-[9-carbazol]-styryl)cyclohexene (DCDCC), an organic light emitting material with pull-push structure, were investigated using a time-dependent density functional theory (TD-DFT) approach and bulk solvent effects were taken into account. The performance of eight exchange-correlation functionals including both local and long-range hybrids was assessed by comparing the calculated electron transition energies to experimental observations. It turns out that the appropriate choice of functionals is crucial to obtain an accurate value and BMK hybrids, which contain 44% Hartree Fock exchange, in the frame of DFT and TD-DFT with the polarizable continuum model and a medium sized basis set, emerges as an effective strategy for DCDCC. Moreover, the planar and twisted intramolecular charge transfer (PICT and TICT)models were used to interpret the excited state structure of DCDCC although the charge transfer character of the excited-state was not as intense as to emit obvious double fluorescence. The accurate structures were optimized by BMK and supported the PICT model.

  7. 西南某焦化场地土壤中典型污染物的特征分布%Characteristic distribution of typical contaminants in the soil of a coking plant site in the southwest of China

    Institute of Scientific and Technical Information of China (English)

    王培俊; 刘俐; 李发生; 胡振琪; 白利平

    2011-01-01

    Eighteen profile samples and five surface samples of the soil at a coking plant site in the southwest of China were collected.Total cyanide,heavy metals,volatile organic compounds,total petroleum hydrocarbons,dioxin and so on were analyzed by GC-MS and other methods,and characteristic distribution of theirs in the soil of different functional areas were discussed.The results indicate that the areas around coke pushing line,coal tar recovery point,asphalt conveyor belt and outdoor yard of solid waste of this coking plant are more severely polluted.The concentration of phenanthrene,anthracene,4-methyl phenol,2,4-dimethyl phenol and toluene in the soil is no more than A-level standard value of soil quality assessment for exhibition sites.However,the number of the points over standard of testing total cyanide,mercury,naphthalene,fluoranthene,pyrene,benzo/ pyrene,carbazole,petroleum hydrocarbons is comparatively more.Dioxin in the three tested samples is all detected,but the high I-TEQ value of it is no more than the soil remediation intervention value of Dutch soil remediation circular 2009.%在西南某焦化场地采集了18个土壤剖面样和5个表层样,利用GC-MS等,对土壤中的总氰化物、重金属、挥发性有机物、总石油烃和二噁英等进行了定量分析,并研究了其在不同功能区土壤中的特征分布。结果表明:①该焦化厂污染较严重的区域主要在推焦线路、焦油回收点、沥青传送带和固废室外堆场附近;②厂区土壤中菲、蒽、4-甲基酚、2,4-二甲基酚和甲苯的浓度均未超过展览会用地土壤质量评价A级标准,而总氰化物、汞、萘、荧蒽、芘、苯并[a]芘、咔唑、石油烃超标点较多;③二噁英在本次所检测的3个样点中全部被检出,但都不超过《荷兰土壤修复通告2009》中的土壤修复干涉值。

  8. Quality of streams in Johnson County, Kansas, 2002--10

    Science.gov (United States)

    Rasmussen, Teresa J.; Stone, Mandy S.; Poulton, Barry C.; Graham, Jennifer L.

    2012-01-01

    to at least one-fourth of those concentrations in 2007 and 2010 likely because of the reduction in upstream wastewater discharge contributions. The highest concentrations of trace metals in 2010 occurred at urban sites on Mill and Indian Creeks. Zinc was the only metal to exceed the probable effects concentration in 2010, which occurred at a site on Indian Creek. In 2007, chromium and nickel at the upstream urban Cedar Creek site exceeded the probable effects concentrations, and in 2003, no metals exceeded the probable effects concentrations. Of 72 organic compounds analyzed in streambed sediment, 26 were detected including pesticides, polycyclic aromatic hydrocarbons (PAHs), fuel products, fragrances, preservatives, plasticizers, manufacturing byproducts, flame retardants, and disinfectants. All 6 PAH compounds analyzed were detected, and the probable effects concentrations for 4 of the 6 PAH compounds analyzed were exceeded in 2010. Only five pesticide compounds were detected in streambed sediment, including carbazole and four pyrethroid compounds. Chronic toxicity guidelines for pyrethroid compounds were exceeded at five sites. Biological conditions reflected a gradient in urban land use, with the less disturbed streams located in rural areas of Johnson County. About 19 percent of sites in 2010 (four sites) were fully supporting of aquatic life on the basis of the four metrics used by Kansas Department of Health and Environment to categorize sites. This is a notable difference compared to previous years when no sites (in 2003 and 2004) or just one site (in 2007) was fully supporting of aquatic life. Multimetric macroinvertebrate scores improved at the Big Bull Creek site where wastewater discharges were reduced in 2007. Environmental variables that consistently were highly negatively correlated with biological conditions were percent impervious surface and percent urban land use. In addition, density of stormwater outfall points adjacent to streams was

  9. 一种新型粘多糖结构与性能的检测%The structure and performance testing of a new kind of mucopolysaccharide

    Institute of Scientific and Technical Information of China (English)

    丛涛; 徐永斌; 赵晨希; 张淑荣; 刘春巧; 张鹏

    2011-01-01

    粘多糖是由糖醛酸和氨基己糖交替连接成的高分子物质,理化性质独特,应用范围广泛.通过对突变株兽疫链球菌Streptococcus zooepidemicus BU 100进行发酵,可产一种新型粘多糖(下文用粘多糖A代替).利用咔唑法、Elson-Morgan法、考马斯亮蓝法、红外光谱以及13C核磁共振谱测定粘多糖A的结构,结果显示粘多糖A中糖醛酸和氨基糖的摩尔比例接近1∶1,蛋白含量符合标准(<0.1%);粘多糖A图谱中出现的结构特征峰大部分与透明质酸相同.对粘多糖A的实用性能进行检测,并用透明质酸做对比,结果表明透明质酸在两种湿度下的吸湿性均要好于粘多糖A,但粘多糖A的保湿性要好于透明质酸.粘多糖A总体的抗氧化性好于透明质酸,并且粘多糖A耐透明质酸酶.粘多糖A可作为保湿剂、润滑剂、抗氧化剂等被更加有效地应用在医疗和化妆品等领域.%Mucopolysaccharide was made of uronic acid and hexosamine. Due to the unique physical and chemical properties, mucopolysaccharides have been used in various fields. After collecting and enrichment culture of active nasal mucosa scraped from newly slaughtered cattle, we got a kind of streptococcus zooepidemicus which was named BU100. With its culture it can secrete a high yield new Mucopolysaccharide A. As there were uronic acid and hexosamine in mucopolysaccharide, the methods of carbazole and Elson-Morgan were used to detect mucopolysaccharide A. In addition, the major impurity (protein) in mucopolysaccharide was detected by the method of Coomassie brilliant blue. According to these methods, it was found that the ratio of uronic acid and hexosamine in mucopolysaccharide A was nearly 1:1 which was the same as that in Hyaluronic Acid (HA), and the quantity of pro-tein meets the standards (<0.1%) requirements. Furthermore with the IR, NMR, the functional group of mucopolysaccharide A was determined and compared to HA. It therefore indicates that

  10. Study on the conditions of extracting pectin in fruits and derived products%水果及其制品中果胶的提取条件研究

    Institute of Scientific and Technical Information of China (English)

    庞荣丽; 方金豹; 郭琳琳; 谢汉忠; 罗静; 李君; 黄玉南; 俞宏; 庞涛

    2013-01-01

    [Objective] The objective of the study is to research the determination of pectin content in fruits and derived products. [Method]Using apple, banana, kiwi fruit etc as test material, and galacturonic acid as standard substance, using ethanol precipitation, sulfuric acid-carbazole colorimetry, the conditions of extracting pectin from fruits and derived products were studied. The conditions included precipitant type, precipitant -adding method, precipitating time, and saponification temperature and the time in the alkali extraction method. [Result ]The results showed that, ethanol was suitable precipitant type, and precipitation effect was best when the hot ethanol (75 ℃) was directly added and then 85 ℃ water bathed. Pectin content increased with water bath time, but decreased when the water bath time was more than 10 min. ., The saponification time and temperature had little effect on pectin content in alkali extraction, and 15 min saponification time could meet the requirement, but heating could make the pectin determination results lower, especially under the condition of boiling. [Conclusion]The studies suggested that the optimum conditions of precipitation were at 85 ℃ with 75 ℃ ethanol for 10 minutes, and time of saponification was more than 15 minutes at room temperature in the alkali extraction. Under the conditions, it had high accuracy and precision, and repeatability and reproducibility were in line with the requirements of relevant standards.%[目的]为研究水果及其制品中果胶的提取条件,[方法]以苹果、香蕉、猕猴桃等为试材,以半乳糖醛酸为标准物质,采用乙醇沉淀、硫酸-咔唑比色法,对果胶提取条件如沉淀剂类型、沉淀剂加入方式、沉淀时间,以及碱提取方式下皂化温度、皂化时间等进行了研究.[结果]结果表明,无水乙醇是提取果胶的适宜沉淀剂,直接加入热的无水乙醇(75℃),然后85℃水浴沉淀效果最佳;果胶含量随水浴

  11. 虫草多糖的分离纯化及结构鉴定%Isolation, Purification and Structural Identification of Polysaccharide from Cordyceps Sinensis

    Institute of Scientific and Technical Information of China (English)

    李蓉; 孙书娟; 江晓路

    2015-01-01

    目的::分离纯化冬虫夏草菌发酵液多糖,并对虫草多糖的结构进行分析。方法:采用液体发酵法培养冬虫夏草菌,水提醇沉法提取虫草发酵液多糖EPS和菌丝体多糖IPS,联合使用葡聚糖凝胶柱色谱对虫草多糖进行分离纯化,采用凝胶过滤法测定其纯度和相对分子质量,气相色谱法分析其单糖组成,再通过硫酸咔唑法分析糖醛酸含量。结果:经分离纯化得到多糖EPS的相对分子质量(Mr)为78 kDa,多糖含量为94.8%,单糖组成为甘露糖、葡萄糖和半乳糖,摩尔比为4.5∶8.0∶1.0;糖醛酸含量为6.0%。多糖IPS 的Mr为42 kDa,多糖含量为92.5%,单糖组成为甘露糖、葡萄糖、半乳糖,摩尔比为2.8∶3.0∶1.0;糖醛酸含量为4.5%。结论:虫草多糖EPS和IPS均是杂多糖。%Objective: To isolate and purify the polysaccharide from Cordyceps sinensis, and analyze its structure. Methods:Cordyceps sinensis was cultured by a liquid fermentation method. A water-extraction and alcohol-precipitation method was applied to ex-tract polysaccharide from Cordyceps sinensis fermentation liquor (EPS) and polysaccharide from Cordyceps sinensis mycelium (IPS). Sephadex gel chromatography was applied to isolate and purify the polysaccharide. The purity and relative molecular weight of the poly-saccharide were determined by a gel filtration method. The monosaccharide composition of the polysaccharide was identified by GC. The content of uronic acid was analyzed by sulfuric acid carbazole method. Results: The analysis results showed that the molecular weight of EPS was 78kDa. The content of polysaccharide and uronic acid was 94. 8% and 6. 0%, respectively. EPS was composed of mannose,glucose and galactose with the molar ratio of 4. 5∶8. 0∶1. 0. The molecular weight of IPS was 42kDa. The content of polysac-charide and uronic acid was 92. 5% and 4. 5%, respectively. IPS was composed of mannose,glucose and galactose with the molar ratio of 2

  12. Ultrafast exciton dissociation followed by nongeminate charge recombination in PCDTBT:PCBM photovoltaic blends.

    Science.gov (United States)

    Etzold, Fabian; Howard, Ian A; Mauer, Ralf; Meister, Michael; Kim, Tae-Dong; Lee, Kwang-Sup; Baek, Nam Seob; Laquai, Frédéric

    2011-06-22

    The precise mechanism and dynamics of charge generation and recombination in bulk heterojunction polymer:fullerene blend films typically used in organic photovoltaic devices have been intensively studied by many research groups, but nonetheless remain debated. In particular the role of interfacial charge-transfer (CT) states in the generation of free charge carriers, an important step for the understanding of device function, is still under active discussion. In this article we present direct optical probes of the exciton dynamics in pristine films of a prototypic polycarbazole-based photovoltaic donor polymer, namely poly[N-11''-henicosanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT), as well as the charge generation and recombination dynamics in as-cast and annealed photovoltaic blend films using methanofullerene (PC(61)BM) as electron acceptor. In contrast to earlier studies we use broadband (500-1100 nm) transient absorption spectroscopy including the previously unobserved but very important time range between 2 ns and 1 ms, which allows us not only to observe the entire charge carrier recombination dynamics but also to quantify the existing decay channels. We determine that ultrafast exciton dissociation occurs in blends and leads to two separate pools of products, namely Coulombically bound charge-transfer (CT) states and unbound (free) charge carriers. The recombination dynamics are analyzed within the framework of a previously reported model for poly(3-hexylthiophene):PCBM (Howard, I. A. J. Am. Chem. Soc. 2010, 132, 14866) based on concomitant geminate recombination of CT states and nongeminate recombination of free charge carriers. The results reveal that only ~11% of the initial photoexcitations generate interfacial CT states that recombine exclusively by fast nanosecond geminate recombination and thus do not contribute to the photocurrent, whereas ~89% of excitons create free charge carriers on an ultrafast time scale

  13. GC - MS Analysis of Constituents with Inhibitory Effect on Fusarium oxysporum f.sp.cubense in the Extractives of Two Alliums%两种葱属植物提取物对香蕉枯萎病菌有抑制作用组分的气相色谱-质谱分析

    Institute of Scientific and Technical Information of China (English)

    冯岩; 杨静美; 梁小媚; 陈雁; 王晓容

    2011-01-01

    The antibiotic experiment of extractive from Allium fistulosum and Allium tuberosum root with petroleumether and ethylacetate against Fusarium oxysporum f. Sp. Cubense was investigated. The results showed that the most conspicuous inhibitory effect on the germ was from the extract with petroleumether from Allium fistulosum stem. Compositions of the extract were analyzed by GC - MS, in which two main compounds, disulfide(42. 07% ) and thioxane( 16.29% ) were obtained. The extracts with petroleumether from all the parts of Allium fistulosum and Allium tuberosum root, as well as the secretions in water of Allium fistulosum and root of Allium tuberosum dissolved with ethylacetate were further detected by GC - MS. The secretions detected from petroleumether were 24, 9, 11, 27, and those from the ethylacetate were 19 and 7. The petroleumether extracts contained many sul-focompounds, which were mainly the disulfide, occupying 31.09% in Allium fistulosum root, 42. 07% in stem and 26. 20% in leaf, but little in Allium tuberosum root. Compounds containing carbazole were detected from secretions in water of Allium fistulosum root, up to 28. 03% , and phen-ethylamine, benzeneacetic acid, cyclohexene-1-one semicarbazone, indole etc. Were detected from secretions in water of Allium tuberosum root.%以葱、韭菜根的石油醚和乙酸乙酯提取物对香蕉枯萎病菌进行了抑菌实验,结果表明:葱茎的石油醚提取液对香蕉枯萎病菌的抑制效果最明显,采用气相色谱-质谱法对葱茎的石油醚提取液进行分析,发现其中含有42.07%的二硫化物和16.29%的噻烷类化合物,推断这2种化学成分可能是抑菌的主要成分.进一步对葱的根、茎、叶和韭菜根的石油醚提取液以及葱和韭菜根在水中分泌物的乙酸乙酯溶解液进行了气相色谱-质谱检测.检测结果显示:葱的根、茎、叶和韭菜根的石油醚检出物分别为24、9、11、27种;葱和韭菜根

  14. Simultaneous determination of neutral sugars and uronic acid constituents in a novel bacterial polysaccharide using gas chromatography-mass spectrometry%气相色谱-质谱联用同时分析新型细菌多糖中的单糖和糖醛酸

    Institute of Scientific and Technical Information of China (English)

    王凤芹; 杨航仙; 汪以真

    2013-01-01

    对纯化的新型细菌多糖进行酸水解,用乙硫醇-三氟乙酸和醋酐-吡啶体系先后对酸水解物进行衍生,与之前报道不同的是糖醛酸得到有效衍生化.以木糖为内标,采用气相色谱-质谱联用(GC-MS)定量分析该多糖酸水解物中单糖和糖醛酸衍生物发现,该多糖的糖链由岩藻糖、葡萄糖、葡萄糖醛酸和半乳糖组成,其相对物质的量比为1.50∶1.0∶0.79∶2.06;中性糖比例与糖醇乙酸酯化分析岩藻糖、葡萄糖和半乳糖的相对物质的量比(1.76∶1.0∶1.98)接近;糖醛酸咔唑法与该方法分析葡萄糖醛酸的含量分别为16.19%和14.85%.以上结果表明所建立的衍生化方法及GC-MS同时定量分析多糖酸水解物中单糖和糖醛酸的方法可行.此外还对葡萄糖醛酸的质谱裂解机理进行了阐述.%The purified novel bacterial polysaccharide was acid-hydrolyzed, followed by the subsequent derivatization using ethanethiol-trifluoroacetic acid and acetic anhydride-pyridine systems sequentially. Our findings differ from the previous reports in that the glucuronic acid was obtained through effective derivatization. The neutral sugars and glucuronic acid were analyzed using gas chromatography-mass spectrometry (GC-MS) with xylose as an internal standard. The polysaccharide was found to be composed of fucose, glucose, glucuronic acid and galactose, with the relative molar ratio of 1. 50: 1. 0: 0. 79= 2. 06. The neutral sugars ratio was similar to the relative molar ratio for fucose, glucose and galactose of 1. 76: l. 0: 1. 98 through alditol acetates determined by GC. The percentages of glucuronic acid analyzed using either the carbazole and sulfuric acid method or the above method were 16. 19% and 14. 85%, respectively. These results indicate that it is practicable to use the derivatization method and GC-MS to quantitatively analyze neutral sugars and glucuronic acid simultaneously in polysaccharide. For GC-MS analysis, the

  15. Two-photon absorption prop erties of novel charge transfer molecules with divinyl sulfide/sulfone center%以二乙烯硫/砜基为中心的新型电荷转移分子双光子吸收特性∗

    Institute of Scientific and Technical Information of China (English)

    武香莲; 赵珂; 贾海洪; 王富青

    2015-01-01

    triphenylamine group has the largest cross-section due to its strong donor groups. The divinyl sulfones-based dyes have larger cross-sections than the corresponding sulfides-based ones, because divinyl sulfones have stronger capability to accept electrons and at the same time the torsional angles between benzene rings in sulfones-based molecules are smaller than in the sulfides-based molecules. In the applicable wavelength range, these new dyes exhibit large two-photon absorption cross-sections which have the same order of magnitude as the strong two-photon absorption molecules with similar conjugation length. The largest cross section comes to 1613.3 GM calculated by using 6-31g(d) basis set. Molecular orbitals involved in the strongest two-photon absorption excitations are plotted and the charge transfer process is analyzed at length. The divinyl sulfide and sulfone centers behave as electron withdrawing groups and can form effective charge transfer molecules. On the basis of these new molecules, the structure inducing two-photon absorption enhancement is designed by employing isomerism effect. When the benzene rings of carbazole groups are connected with the molecular center, the planarity and charge transfer intensity are increased, and then the two-photon absorption cross-section can be improved dramatically. This study provides theoretical guidelines for the synthesis of new type of active two-photon absorption materials.

  16. 分散液液微萃取-衍生化高效液相色谱-荧光检测法测定环境水样中4种酚类内分泌干扰物%Determination of four phenolic endocrine disruptors in environmental water samples by high performance liquid chromatography-fluorescence detection using dispersive liquid-liquid microextraction coupled with derivatization

    Institute of Scientific and Technical Information of China (English)

    王晓燕; 亓伟梅; 赵先恩; 吕涛; 王西亚; 郑龙芳; 闫业浩; 尤进茂

    2014-01-01

    为实现小体积环境水样中酚类化合物的准确、快速、高灵敏测定,通过分散液液微萃取( DLLME)和荧光衍生化的结合,建立了高效液相色谱-荧光检测(HPLC-FLD)双酚 A、壬基酚、辛基酚和对特辛基酚的分析方法。考察并优化了 DLLME 和衍生化条件,结果表明,最优的 DLLME 条件为萃取剂氯仿用量70μL,分散剂乙腈用量400μL,漩涡振荡3 min,高速离心2 min。以2-[2-(7H-二苯并[a,g]咔唑-乙氧基)]-乙基氯甲酸酯(DBCEC-Cl)为柱前衍生试剂,在 pH 10.5的 Na2 CO3-NaHCO 3缓冲液/乙腈溶液、50℃下衍生反应3 min 得到稳定的衍生产物,于10 min 内实现了4种酚衍生物的分离。方法的检出限为0.9~1.6 ng / L,定量限为3.8~7.1 ng / L,具有良好的线性、精密度和回收率,与以往报道的方法相比具有一定的优势和实用性,可用于造纸厂废水、湖水、生活废水、自来水中4种酚类内分泌干扰物的测定。%To achieve accurate,fast and sensitive detection of phenolic endocrine disruptors in small volume of environmental water samples,a method of dispersive liquid-liquid microextrac-tion(DLLME)coupled with fluorescent derivatization was developed for the determination of bisphenol A,nonylphenol,octylphenol and 4-tert-octylphenol in environmental water samples by high performance liquid chromatography-fluorescence detection( HPLC-FLD). The DLLME and derivatization conditions were investigated,and the optimized DLLME conditions for small volume of environmental water samples(pH 4. 0)at room temperature were as follows:70 μL chloroform as extraction solvent,400 μL acetonitrile as dispersing solvent,vortex mixing for 3 min,and then high-speed centrifugation for 2 min. Using 2-[2-(7H-dibenzo[ a,g]carbazol-7-yl)-ethoxy]ethyl chloroformate( DBCEC-Cl)as precolumn derivatization reagent,the stable derivatives of the four phenolic endocrine disruptors were obtained in pH 10. 5 Na

  17. Novel composites for nonlinear optics

    Science.gov (United States)

    Hameed-Muhammed, Muhammed Subhi

    A fully computerised Temperature-Gradient Zone-Melting (TGZM) apparatus was designed and built in order to produce novel and highly aligned composite films for Second Harmonic Generation (SHG). The TGZM apparatus consists of hot and cold aluminium blocks with glass- ceramic thermal insulator sandwiched between the two blocks. The composite films contain SHG-active guest crystals incorporated within a polymer matrix (host) forming a guest/host structure. These composites exhibit good optical performance in terms of SHG output (guest crystal), high mechanical strength, thermal and chemical stability (host polymer). These particular properties are of great importance especially for fibre-optical applications. 3-methyl-4-methoxy-4'-nitrostilbene (MMONS) is SHG-active guest material which was investigated by incorporating it in poly(methyl methacrylate) or PMMA(host polymer). Two PMMA molecular weight distributions (MWD) were used once at a time, in which the effect of that on the overall SHG intensity was clearly observed. It was found that a change of a polymer MWD does alter the output of the SHG signal. MMONS crystals were also embedded in another polymer host called Polystyrene (PS) in order to demonstrate the effect of using two different polymers on the SHG intensity of MMONS aligned films. The samples were cast on a glass slides and placed on the hot side of the TGZM apparatus (crystal growth from melt). Later they were drawn towards the cold side with a drawing rate closely matching the MMONS crystal growth rate and producing highly aligned composite films. A Nd:YAG laser beam (1064 nm) with 10 mJ fundamental energy was incident on the above samples (45° from the optic axis z) using type II phase matching, resulting in a green second harmonic signal of 532 nm. The refractive index mismatch between MMONS and a polymer host such as poly(9-vinyle carbazole) or PVK (used in this project) could cause a major light scattering (i.e light loss) during SHG intensity

  18. High-Efficiency Polymer Solar Cells without Optical Spacer%免光学间隔层的高效聚合物太阳能电池

    Institute of Scientific and Technical Information of China (English)

    杨少鹏; 赵艳新; 韩凌洁; 杨启满; 韩理; 傅广生

    2012-01-01

    使用相对聚(3乙基噻吩)(P3HT)具有更低能带结构的聚{[9-(1-辛基壬基)-9H-咔唑-2,7-2基]-2,5-噻吩二基-2,1,3-苯并噻二唑-4,7-二基-2,5噻吩二基} (PCDTBT)作为电子给体材料和较C60衍生物(PC60BM)具有更广光谱吸收能力的C70衍生物(PC70 BM)作为电子受体材料构建共混体系活性层,制备有机聚合物太阳能电池.通过控制活性层薄膜生长速度、环境得出在N2环境中静置10 min时聚合物电池达到了5.65%的高光电转换效率(PCE).然后,通过进一步优化活性层薄膜厚度短路电流密度大幅提升至14.2 mA/cm2,PCE达到5.84%.结果表明,在不使用TiOx等光学间隔层的情况下,通过控制活性层薄膜生长过程和优化活性层薄膜厚度也可以大幅增加短路电流密度,获得高的PCE.%Orgnic polymer solar cells are fabricated with the poly [N-9'-heptadecany l-2,7-carbazole-alt-5, 5-(4',7'-di-2-thienyl-2',l' ,3'-benzothiadiazole)] (PCDTBT) with lower bandgap than poly (3-hexylthiophene) (P3HT) parforming as electron donor material and ([6,6]-phenyl C70-butyric acid methyl ester) (PC70BM) instead of [6,6]-phcnyl-C60-butyric acid methyl ester (PC60BM). which has wider spectra absoption capability as electron accepter. The power conversion efficiency (PCE) has enhanced to 5. 65% by controlling the growth rate and the environment of active layer. Then the thickness of active layer film is optimized, the PCE is improved to 5. 84% with the short-circuit current density of 14. 2 mA/cm2. The results demonstrate that even without optical spacer the active layer can also have a higher absoption rate and PCE with the control of growth rate and the thickness of active layer.

  19. White organic light-emitting devices based on a novel CzHQZn%基于CznQZn发光的白光有机电致发光器件

    Institute of Scientific and Technical Information of China (English)

    丁桂英; 姜文龙; 汪津; 王广德; 丛林; 欧阳新华; 曾和平

    2009-01-01

    The white organic light-emitting devices(WOLEDs) are fabricated by using a novel yellow CzHQZn as hole-transporting/emitting layer. The device structure is indium-tin.oxide(ITO)/4,4' ,4"-{N,-(2-naphthyl)-N-phenylamino}-triphenylarnine (2T-NATA)(22 nm)/CzHQZn(x nm)/N,N '-bis-(1-naphthyl)- N, N '-diphenyl- 1,1 '-biphenyl-4,4'-diamine (NPBX) (y nm)/2,9-dimethyl,-4,7-diaphe-nyl, 1,10-phenanthroline (BCP) (10 nm)/tris(8-quinolinolato) aluminum(Alq3) (68 - x- y nm)/LiF (0. 5 nm)/A1. It is found that the thicknesses of CzHQZn and NPBX have great influence on the per-forrnance of the WOLED. When y=22 ,x= 8, a WOLED is achieved with a maximum luminous efficien-(0. 357 9,0. 318 2). Thus,the close point remains in the white-light-region and is close to the equal-ener-gy white point (0.33,0. 33). The turn-on voltage of the device is lower than 5 V.%利用一种新材料(E)-2-(2-(9-ethyl-9H-carbazol-3-y1)vinyl)quinolato-Zinc(CzHQZn)作空穴传输层和发光层制备了白光有机电致发光器件(WOLED),器件的结构为indium-tin oxide(ITO/4,4',4"-{N,-(2-naphthyl)-N-phenylamino}-triphenylamine(2T-NATA)(22 nm)/CzHQZn(x nm)/N,N'-bis-(1-naphthyl)一N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine(NPBX)(y nm)/2,9-dimethyl,-4,7-diaphenyl,1,10-phermnthroline(BCP)(10nm)/tris(8-quinolinolato)aluminum(Alq3)(68-x-y nm)/LiF(0.5 um)/Al.研究发现发光层CzHQZn和NPBX的厚度对器件的发光性能有较大的影响.当CzHQZn厚度x为22 nm、NPBX厚度Y为8 nm时,得到了色度最好和效率最大的WOLED,最大电流效率为0.9 cd/A(at 10 V),最大亮度为3514 cd/m2(at 10 v),此时色坐标为(0.3579,0.3182),接近白光的等能点(0.33,0.33).器件的另一个重要特点是开启电压比较低为4 V.

  20. Quality of streams in Johnson County, Kansas, 2002--10

    Science.gov (United States)

    Rasmussen, Teresa J.; Stone, Mandy S.; Poulton, Barry C.; Graham, Jennifer L.

    2012-01-01

    to at least one-fourth of those concentrations in 2007 and 2010 likely because of the reduction in upstream wastewater discharge contributions. The highest concentrations of trace metals in 2010 occurred at urban sites on Mill and Indian Creeks. Zinc was the only metal to exceed the probable effects concentration in 2010, which occurred at a site on Indian Creek. In 2007, chromium and nickel at the upstream urban Cedar Creek site exceeded the probable effects concentrations, and in 2003, no metals exceeded the probable effects concentrations. Of 72 organic compounds analyzed in streambed sediment, 26 were detected including pesticides, polycyclic aromatic hydrocarbons (PAHs), fuel products, fragrances, preservatives, plasticizers, manufacturing byproducts, flame retardants, and disinfectants. All 6 PAH compounds analyzed were detected, and the probable effects concentrations for 4 of the 6 PAH compounds analyzed were exceeded in 2010. Only five pesticide compounds were detected in streambed sediment, including carbazole and four pyrethroid compounds. Chronic toxicity guidelines for pyrethroid compounds were exceeded at five sites. Biological conditions reflected a gradient in urban land use, with the less disturbed streams located in rural areas of Johnson County. About 19 percent of sites in 2010 (four sites) were fully supporting of aquatic life on the basis of the four metrics used by Kansas Department of Health and Environment to categorize sites. This is a notable difference compared to previous years when no sites (in 2003 and 2004) or just one site (in 2007) was fully supporting of aquatic life. Multimetric macroinvertebrate scores improved at the Big Bull Creek site where wastewater discharges were reduced in 2007. Environmental variables that consistently were highly negatively correlated with biological conditions were percent impervious surface and percent urban land use. In addition, density of stormwater outfall points adjacent to streams was