Cyclodextrin Nanoparticles Bearing 8-Hydroxyquinoline Ligands as Multifunctional Biomaterials.

Science.gov (United States)

Oliveri, Valentina; Bellia, Francesco; Vecchio, Graziella

2017-03-28

Cyclodextrins are used as building blocks for the development of a host of polymeric biomaterials. The cyclodextrin polymers have found numerous applications as they exhibit unique features such as mechanical properties, stimuli responsiveness and drug loading ability. Notwithstanding the abundance of cyclodextrin polymers studied, metal-chelating polymers based on cyclodextrins have been poorly explored. Herein we report the synthesis and the characterization of the first metal-chelating β-cyclodextrin polymer bearing 8-hydroxyquinoline ligands. The metal ions (Cu 2+ or Zn 2+ ) can modulate the assembly of the polymer nanoparticles. Moreover, the protective activity of the new chelating polymer against self- and metal-induced Aβ aggregation and free radical species are significantly higher than those of the parent compounds. These synergistic effects suggest that the incorporation of hydroxyquinoline moieties into a soluble β-cyclodextrin polymer could represent a promising strategy to design multifunctional biomaterials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, photophysical and electrochemical properties of water–soluble phthalocyanines bearing 8-hydroxyquinoline-5-sulfonicacid derivatives

Energy Technology Data Exchange (ETDEWEB)

Günsel, Armağan; Kocabaş, Sibel; Bilgiçli, Ahmet T. [Department of Chemistry, Sakarya University, 54140 Esentepe, Sakarya (Turkey); Güney, Sevgi [Department of Chemistry, Istanbul Technical University, 34469 Maslak, Istanbul (Turkey); Kandaz, Mehmet, E-mail: mkandaz@sakarya.edu.tr [Department of Chemistry, Sakarya University, 54140 Esentepe, Sakarya (Turkey)

2016-08-15

We have presented in this paper, the synthesis, characterization, photophysical properties and electrochemical characterization of water soluble phthalocyanines (Pcs) bearing 8-hydroxyquinoline-5-sulfonicacid conjugates and their cationic quaternized counterpart that play important roles their application in photodynamic therapy (PDT). The periphery and non-periphery substituted phthalocyanines show high solubility and low aggregation tendency due to bulky 8-hydroxyquinoline-5-sulfonicacid steric hindrance moieties and axially bound counter chlorine anion. Singlet oxygen quantum yields, photodegradation quantum yields, photophysical properties and also the nature of the substituent and solvent effect on the photophysical and photochemical parameters of α-ZnPc and β-ZnPc are reported. In electrovalent cobalt (II) and manganese (III) compounds, metal based electron transfer reactions have been observed in addition to the common phthalocyanine ring-based electron transfer processes. The effect of point of substitution on the electrochemical properties of newly synthesized phthalocyanines substituted with 8-hydroxyquinoline-5-sulfonicacid group were evaluated.

Complexation efficiency of differently fixed 8-hydroxyquinoline and salicylic acid ligand groups for labile aluminium species determination in soils-comparison of two methods

International Nuclear Information System (INIS)

Matus, Peter; Kubova, Jana

2006-01-01

Two methods utilizing the complexation of labile Al species by 8-hydroxyquinoline (HQN) and salicylic acid (SA) ligand groups were developed for aluminium operationally defined fractionation in acid soils. First, the solid phase extraction (SPE) procedure by a short-term ion-exchange batch reaction with chelating resins Iontosorb Oxin and Iontosorb Salicyl containing both ligand groups was used previously. Second, the 8-hydroxyquinoline, salicylic acid and ammonium salicylate agents with different concentrations by a single extraction protocol were applied in this paper. The flame atomic absorption spectrometry (FAAS) and optical emission spectrometry with inductively coupled plasma were used for aluminium quantification. The comparison of results from both methods show the possibility to supersede the first laborious method for the second simpler one in Al environmental risk assessment. The use of 1% 8-hydroxyquinoline in 2% acetic acid and 0.2% salicylic acid by a single extraction protocol without a need of sample filtration can supersede the SPE procedure in the Al pollution soil monitoring. Finally, the new scheme usable in a laboratory and moreover, directly in a field was proposed for Al fractionation in solid and liquid environmental samples. The labile Al species in soils and sediments are separated after their single leaching by 8-hydroxyquinoline or salicylic acid without a need of sample filtration. The labile Al species in soil solutions and natural waters are separated after their ultrafiltration followed by the SPE procedure with Iontosorb Oxin or Iontosorb Salicyl

The influence of synthesis conditions on the stability of tris(8-hydroxyquinoline) aluminum organometallic luminophore

Science.gov (United States)

Akkuzina, A. A.; Khomyakov, A. V.; Avetisov, R. I.; Avetissov, I. Ch.

2017-04-01

Single-phase crystalline luminophore tris(8-hydroxyquinoline) aluminum (Alq3) has been synthesized at T = 483 K and a partial pressure of 8-hydroxyquinoline vapor from 0.15 to 6.12 Torr. The influence of P 8-Hq on the luminescent characteristics of crystalline Alq3 samples has been studied. It has been found that an increase in P 8-Hq led to a shift of the photoluminescence-band maximum and to a change in the photoluminescence-decay kinetics. It has been shown that Alq3 synthesized at T = 483 K and P 8-Hq = 6.12 Torr had the most stable spectral-luminescent characteristics. The results obtained are discussed taking into account defect formation in crystalline Alq3.

A novel method for preparation of 8-hydroxyquinoline functionalized mesoporous silica: Aluminum complexes and photoluminescence studies

Energy Technology Data Exchange (ETDEWEB)

Badiei, Alireza, E-mail: abadiei@khayam.ut.ac.ir [School of Chemistry, College of Science, University of Tehran, P.O. Box 14155-6455, Tehran (Iran, Islamic Republic of); Goldooz, Hassan [Department of Chemistry, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Ziarani, Ghodsi Mohammadi [Department of Chemistry, Faculty of Science, Alzahra University, Tehran (Iran, Islamic Republic of)

2011-03-15

8-Hydroxyquinoline (8-HQ) was attached to mesoporous silica by sulfonamide bond formation between 8-hydroxyquinoline-5-sulfonyl chloride (8-HQ-SO{sub 2}Cl) and aminopropyl functionalized SBA-15 (designated as SBA-SPS-Q) and then aluminum complexes of 8-HQ was covalently bonded to SBA-SPS-Q using coordinating ability of grafted 8-HQ.The prepared materials were characterized by powder X-ray diffraction (XRD), nitrogen adsorption-desorption, Fourier transform infrared (FT-IR), thermal analysis (TGA-DTA), scanning electron microscopy (SEM), transmission electron microscopy (TEM), elemental analysis and fluorescence spectra. The environmental effects on the emission spectra of grafted 8-HQ and its complexes were studied and discussed in details.

Structural and vibrational study of 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone - A potential metal-protein attenuating compound (MPAC) for the treatment of Alzheimer's disease

Science.gov (United States)

de Freitas, Leonardo Viana; da Silva, Cecilia C. P.; Ellena, Javier; Costa, Luiz Antônio Sodré; Rey, Nicolás A.

2013-12-01

A comprehensive structural and vibrational study of the potential metal-protein attenuating compound 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone is reported. X-ray diffraction data, as well as FT-IR and Raman frequencies, were compared with the respective theoretical values obtained from DFT calculations. Theory agrees well with experiment. In this context, an attempt of total assignment concerning the FT-IR and Raman spectra of the title compound was performed, shedding new light on previous partial assignments published elsewhere.

Spectrophotometric Determination of Zinc Using 7-(4-Nitrophenylazo-8-Hydroxyquinoline-5-Sulfonic Acid

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Korn Maria das Graças Andrade

1999-01-01

Full Text Available A sensitive and selective spectrophotometric method is proposed for the rapid determination of zinc(II using an 8-hydroxyquinoline derivative, 7-(4-nitrophenylazo-8-hydroxyquinoline-5-sulfonic acid (p-NIAZOXS, as a new spectrophotometric reagent. The reaction between the p-NIAZOXS and zinc(II is instantaneous at pH 9.2 (borax buffer and the absorbance remains stable for over 24 h. The method allows the determination of zinc over the range of 0.05-1.0 mug mL-1 with a molar absorptivity of 3.75x10(4 L mol-1 cm-1 and features a detection limit of 15 ng mL-1. The proposed method has been successfully applied to the determination of zinc in several pharmaceutical preparations and copper alloys. The precision (R.S.D. < 2% and the accuracy obtained were satisfactory.

Simulated Target Preparation and Separation of Cd (II) - In (III) Matrices Using 8-Hydroxyquinoline Reagent for Producing Indium - III Radioisotope

International Nuclear Information System (INIS)

Sunarhadijoso Soenarjo; Swasono R Tamat; Lukiyawati; Lintang Maharani

2002-01-01

The potency of production and application of 111 In in Indonesia is not supported yet by capability in required processing technology. The presented paper is a preliminary study on processing technology of 111 In production from 112 Cd target covering simulated target preparation and separation of Cd(II)-In(III) matrices. The target preparation was performed by means of electroplating of CdSO 4 solution prepared from reaction of CdO and sulphuric acid. The separation of Cd(II)-In(III) matrices was proceeded by means of solvent extraction in the presence of 8-hydroxyquinoline as In(III)-complexing agent. The Cd-electroplating deposit was satisfactorily found by using 40-60 mA currents with an electroplating time of 5-7 hours. Simulated matrix solution containing mixture of Cd(II) and In(III) was extracted into chloroform with the presence of 8-hydroxyquinoline. The chloroform phase being assumed to contain In(III)-8-hydroxyquinoline complex was then re-extracted with 1 M HCl or saline solution. Each extraction fraction was spectrophotometrically identified in the region of 200-400 nm. From the resulting absorption spectra, it can be shown that the In(III) species is selectively separated from the Cd(II)-matrix. The use of saline in the re-extraction process is better then 1 M HCl solution due to solubility of 8-hydroxyquinoline in HCl. (author)

Graphite electrodes modified by 8-hydroxyquinolines and its application for the determination of copper in trace levels

Directory of Open Access Journals (Sweden)

Sousa Eliane R. de

2006-01-01

Full Text Available Surface modification by 8-hydroxyquinoline-5-sulfonic acid (8-HQS or 8-hydroxyquinoline (8-HQ on a graphite electrode through irreversible adsorption is reported in this paper. Cyclic voltammetry was used to characterize the surface behavior. The modified surface exhibited an affinity to chelating Cu(II in the solution, forming a Cu(II complex, which was employed for Cu(II trace analysis. Of the metals Zn, Ni, Pb, Co, and Cd, none presented interference until excess concentration of 10 times. Significant interference could be observed from Co(II, Cd(II and Fe(II for an excess concentration of 100 times on the analyte. A differential pulse voltammetry, combined with a preconcentrating-stripping process and a standard addition method was used for the analysis. A detection limit for trace copper determination in water, such as 5.110-9 mol L-1, was obtained.

Influence of 8-hydroxyquinoline addition on the corrosion behavior of commercial Al and Al-HO411 alloys in NaOH aqueous media

International Nuclear Information System (INIS)

Soliman, H.N.

2011-01-01

Highlights: → The corrosion of commercial Al alloy is higher than that of Al-HO411 alloy. → The inhibition efficiency increases with the increasing of 8-hydroxyquinoline (8HQ) concentration. → The inhibition efficiencies of Al-HO411 samples are higher than those of commercial Al. → The 8HQ is promising candidate to be added to the coating systems as active anti-corrosive component for corrosion protection of both alloys. - Abstract: The effect of 8-hydroxyquinoline (8HQ) on the corrosion inhibition of commercial Al and Al-HO411 alloys has been investigated in NaOH solutions. Results showed that the inhibition efficiency was increased with increasing concentration of 8HQ. Al-HO411 alloy exhibited higher corrosion resistance and inhibition efficiency than the commercial Al. Examination of both samples was studied by means of optical microscope as well as energy-dispersive X-ray spectrometer. The crystallographic structure of both samples was analyzed by means of X-ray diffractometry. It was observed that protective films are formed on the surfaces that play an essential role in the corrosion inhibition of the alloys under investigation.

Electronic Structure of the Organic Semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from Soft X-ray Spectroscopies and Density Functional Theory Calculations

Energy Technology Data Exchange (ETDEWEB)

DeMasi, A.; Piper, L; Zhang, Y; Reid, I; Wang, S; Smith, K; Downes, J; Pelkekis, N; McGuinness, C; Matsuura, A

2008-01-01

The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq3) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq3, and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studies and the present data reveal the presence of clear photon-induced damage in the former.

Electronic structure of the organic semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations.

Science.gov (United States)

DeMasi, A; Piper, L F J; Zhang, Y; Reid, I; Wang, S; Smith, K E; Downes, J E; Peltekis, N; McGuinness, C; Matsuura, A

2008-12-14

The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq(3)) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq(3), and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studies and the present data reveal the presence of clear photon-induced damage in the former.

Phosphorescent emissions of phosphine copper(I) complexes bearing 8-hydroxyquinoline carboxylic acid analogue ligands

Energy Technology Data Exchange (ETDEWEB)

Małecki, Jan G., E-mail: gmalecki@us.edu.pl [Department of Crystallography, Institute of Chemistry, University of Silesia, Szkolna 9 street, 40-006 Katowice (Poland); Łakomska, Iwona, E-mail: iwolak@chem.umk.pl [Department of Chemistry, Nicolaus Copernicus University, Toruń (Poland); Maroń, Anna [Department of Crystallography, Institute of Chemistry, University of Silesia, Szkolna 9 street, 40-006 Katowice (Poland); Szala, Marcin [Institute of Chemistry, University of Silesia, ul. Szkolna 9, 40-006 Katowice (Poland); Fandzloch, Marzena [Department of Chemistry, Nicolaus Copernicus University, Toruń (Poland); Nycz, Jacek E., E-mail: jacek.nycz@us.edu.pl [Institute of Chemistry, University of Silesia, ul. Szkolna 9, 40-006 Katowice (Poland)

2015-05-15

The pseudotetrahedral complexes of [Cu(PPh{sub 3}){sub 2}(L)], where L=8-hydroxy-2-methylquinoline-7-carboxylic acid (1), 8-hydroxy-2,5-dimethylquinoline-7-carboxylic acid (2) or 5-chloro-8-hydroxy-2-methylquinoline-7-carboxylic acid (3) have been synthesized and structurally characterized by X-ray crystallography. Their properties have been examined through combinations of IR, NMR, electronic absorption spectroscopy and cyclic voltammetry. The complexes exhibit extraordinary photophysical properties. Complex (1) in solid state exhibits an emission quantum yield of 4.67% and an excited life time of 1.88 ms (frozen DCM solution up to 6.7 ms). When dissolved in a coordinating solvent (acetonitrile) the charge transfer emission was quenched on a microsecond scale. - Highlights: • Synthesis of copper(I) complexes with 8-hydroxyquinoline carboxylic acid ligands. • Very long lived phosphorescent copper(I) complexes. • [Cu(PPh{sub 3}){sub 2}(L)] where L=8-hydroxy-2-methylquinoline-7-carboxylic acid luminesce in the solid state exhibits extremely long lifetime on millisecond scale (1.9 ms). • In frozen MeOH:EtOH solution lifetime increases to 7 ms. • Quantum efficiency equal to 4.7%.

Organometallic tris(8-hydroxyquinoline)aluminum complexes as buffer layers and dopants in inverted organic solar cells

International Nuclear Information System (INIS)

Tolkki, Antti; Kaunisto, Kimmo; Heiskanen, Juha P.; Omar, Walaa A.E.; Huttunen, Kirsi; Lehtimäki, Suvi; Hormi, Osmo E.O.; Lemmetyinen, Helge

2012-01-01

Tris(8-hydroxyquinoline)aluminum (Alq 3 ) is a frequently used material for organic light emitting diodes. The electronic properties and solubility can be tuned by chemical tailoring of the quinoline part, which makes it an interesting candidate for organic solar cells. Steady-state absorption and fluorescence, as well as time-resolved fluorescence properties of the parent Alq 3 and a series of complexes consisting of derivatives, such as 4-substituted pyrazol, methylpyrazol, arylvinyl, and pyridinoanthrene moieties, of the quinoline ligand, were studied in solutions and in thin films. Suitability of the complexes as anodic buffer layers or dopants in inverted organic solar cells based on the well known bulk heterojunction of poly(3-hexylthiophene) (P3HT) and phenyl-C 61 -butyric acid methyl ester (PCBM) was tested. The devices equipped with the derivatives showed higher power conversion efficiency (η) compared to the photocells containing the parent Alq 3 . Open circuit voltage (V oc ) was increased when the derivatives were utilized as the anodic buffer layer. Doping of the P3HT:PCBM with a small amount of Alq 3 or its derivative improved short circuit current density, V oc , fill factor, and η, while the series resistance decreased. In addition, the devices were stable in air over several weeks without encapsulation. Possible mechanisms leading to the improvements in the photovoltaic performance by using the parent Alq 3 or its derivative as buffer layer or dopant are discussed. - Highlights: ► Tris(8-hydroxyquinoline)aluminum (Alq 3 ) complexes in inverted organic solar cells. ► The Alq 3 complexes were used as an anodic buffer layer and as a dopant. ► Efficiency increased and the derivatives revealed varying open circuit voltage. ► Photovoltaic performance was stable after storage in a dark ambient atmosphere.

Luminance mechanisms in green organic light-emitting devices fabricated utilizing tris(8-hydroxyquinoline)aluminum/4,7-diphenyl-1, 10-phenanthroline multiple heterostructures acting as an electron transport layer.

Science.gov (United States)

Choo, Dong Chul; Seo, Su Yul; Kim, Tae Whan; Jin, You Young; Seo, Ji Hyun; Kim, Young Kwan

2010-05-01

The electrical and the optical properties in green organic light-emitting devices (OLEDs) fabricated utilizing tris(8-hydroxyquinoline)aluminum (Alq3)/4,7-diphenyl-1,10-phenanthroline (BPhen) multiple heterostructures acting as an electron transport layer (ETL) were investigated. The operating voltage of the OLEDs with a multiple heterostructure ETL increased with increasing the number of the Alq3/BPhen heterostructures because more electrons were accumulated at the Alq3/BPhen heterointerfaces. The number of the leakage holes existing in the multiple heterostructure ETL of the OLEDs at a low voltage range slightly increased due to an increase of the internal electric field generated from the accumulated electrons at the Alq3/BPhen heterointerface. The luminance efficiency of the OLEDs with a multiple heterostructure ETL at a high voltage range became stabilized because the increase of the number of the heterointerface decreased the quantity of electrons accumulated at each heterointerface.

8-Hydroxyquinolines: a review of their metal chelating properties and medicinal applications

Directory of Open Access Journals (Sweden)

Prachayasittikul V

2013-10-01

Full Text Available Veda Prachayasittikul,1 Supaluk Prachayasittikul,2 Somsak Ruchirawat,3 Virapong Prachayasittikul11Department of Clinical Microbiology and Applied Technology, Faculty of Medical Technology, 2Center of Data Mining and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, Thailand; 3Laboratory of Medicinal Chemistry, Chulabhorn Research Institute and Chulabhorn Graduate Institute, Bangkok, ThailandAbstract: Metal ions play an important role in biological processes and in metal homeostasis. Metal imbalance is the leading cause for many neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, and multiple sclerosis. 8-Hydroxyquinoline (8HQ is a small planar molecule with a lipophilic effect and a metal chelating ability. As a result, 8HQ and its derivatives hold medicinal properties such as antineurodegenerative, anticancer, antioxidant, antimicrobial, anti-inflammatory, and antidiabetic activities. Herein, diverse bioactivities of 8HQ and newly synthesized 8HQ-based compounds are discussed together with their mechanisms of actions and structure–activity relationships.Keywords: metal binding compound, antineurodegenerative, anticancer, antidiabetic, multifunctional actions, structure–activity relationships

Separation of transition-metal and 8-hydroxyquinoline-5-sulfonic acid complexes using ion-pair liquid chromatography

International Nuclear Information System (INIS)

Basova, E.M.; Demurov, L.M.; Shpigun, O.A.; Van Iyuchun'

1994-01-01

The retention of chelates of Fe(3), Cu(2), Co(2), Ni(2), Zn(2), Cd(2), Hg(2), and Pb)(2) with 8-hydroxyquinoline-5-sulfonic acid depending on the concentration of cetyltrimethylammonium bromide, acetonitrile, and pH of the mobile phase was investigated using the ion-pair reversed-phase high-performance liquid chromatography on separon C 18 . Under the optimum conditions, the separation of mixtures of Fe(3), Co(2) and Ni(2) is performed within 8 to 12 min

Growth and characterization of tris(8-hydroxyquinoline)-aluminum molecular films

Energy Technology Data Exchange (ETDEWEB)

Jan, Da-Jeng; Wang, Sheng-Shin; Tang, Shiow-Jing; Lin, Ku-Yen; Yang, Jiun-Jie; Shen, Ji-Lin; Chiu, Kuan-Cheng, E-mail: kcchiu@cycu.edu.tw

2011-11-30

Various tris(8-hydroxyquinoline)-aluminum (Alq3) molecular solid films were grown on top of indium-tin-oxide (ITO) glass substrates using physical vapor deposition. The effect of changing the growth conditions on the properties of the films was studied. From scanning electron microscopy, an Alq3 planar layer over an ITO-substrate was observed at the initial period, and an Alq3 tubular structure (which becomes dominant at substrate temperature T{sub sub} Greater-Than-Over-Equal-To 90 Degree-Sign C) was found to nucleate from this layer. From X-ray diffraction, the Alq3 planar layer possesses an amorphous character while the Alq3 tubular layer has a triclinic {alpha}-phase structure. Based on an Arrhenius plot of the growth rate versus 1/T{sub sub}, the growth behaviors in various T{sub sub}-regions were discussed to be dominated by adhesion (for T{sub sub} < 90 Degree-Sign C), steric effect (90 Degree-Sign C < T{sub sub} < 150 Degree-Sign C), and re-evaporation (T{sub sub} > 150 Degree-Sign C). Then, from optical transmission and photoluminescence spectra performed on the high crystalline Alq3 films, two signals associated with the optical-bandgap E{sub g} absorption and the gap-state absorption were determined and discussed in terms of the optical properties of the constituent Alq3 molecules. Finally, from a fit of E{sub g}(T) by an effective electron-phonon interaction model, the physical significance of these fitting parameters for the Alq3 molecular solid was investigated.

Organometallic tris(8-hydroxyquinoline)aluminum complexes as buffer layers and dopants in inverted organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Tolkki, Antti, E-mail: antti.tolkki@tut.fi [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Kaunisto, Kimmo [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Heiskanen, Juha P. [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Omar, Walaa A.E. [Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Chemistry Branch, Department of Science and Mathematics, Suez Canal University, Suez 43721 (Egypt); Huttunen, Kirsi; Lehtimaeki, Suvi [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Hormi, Osmo E.O. [Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Lemmetyinen, Helge [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland)

2012-04-30

Tris(8-hydroxyquinoline)aluminum (Alq{sub 3}) is a frequently used material for organic light emitting diodes. The electronic properties and solubility can be tuned by chemical tailoring of the quinoline part, which makes it an interesting candidate for organic solar cells. Steady-state absorption and fluorescence, as well as time-resolved fluorescence properties of the parent Alq{sub 3} and a series of complexes consisting of derivatives, such as 4-substituted pyrazol, methylpyrazol, arylvinyl, and pyridinoanthrene moieties, of the quinoline ligand, were studied in solutions and in thin films. Suitability of the complexes as anodic buffer layers or dopants in inverted organic solar cells based on the well known bulk heterojunction of poly(3-hexylthiophene) (P3HT) and phenyl-C{sub 61}-butyric acid methyl ester (PCBM) was tested. The devices equipped with the derivatives showed higher power conversion efficiency ({eta}) compared to the photocells containing the parent Alq{sub 3}. Open circuit voltage (V{sub oc}) was increased when the derivatives were utilized as the anodic buffer layer. Doping of the P3HT:PCBM with a small amount of Alq{sub 3} or its derivative improved short circuit current density, V{sub oc}, fill factor, and {eta}, while the series resistance decreased. In addition, the devices were stable in air over several weeks without encapsulation. Possible mechanisms leading to the improvements in the photovoltaic performance by using the parent Alq{sub 3} or its derivative as buffer layer or dopant are discussed. - Highlights: Black-Right-Pointing-Pointer Tris(8-hydroxyquinoline)aluminum (Alq{sub 3}) complexes in inverted organic solar cells. Black-Right-Pointing-Pointer The Alq{sub 3} complexes were used as an anodic buffer layer and as a dopant. Black-Right-Pointing-Pointer Efficiency increased and the derivatives revealed varying open circuit voltage. Black-Right-Pointing-Pointer Photovoltaic performance was stable after storage in a dark ambient

Configuration-specific synthesis of the facial and meridional isomers of tris(8-hydroxyquinolinate)aluminum (Alq3).

Science.gov (United States)

Katakura, Ryo; Koide, Yoshihiro

2006-07-24

Treatment of AlO(OH) with 3 equiv of 8-hydroxyquinolinol in refluxing deionized water provided the meridional and facial isomers of tris(8-hydroxyquinolinate)aluminum (Alq3) with good yields as solid deposits after 1 and 90 h, respectively. X-ray diffraction and solid-state 13C NMR studies revealed that mer-Alq3 is formed in the early stage of the reaction and then gradually converts to fac-Alq3, which is thermodynamically less stable, although no existence of a catalyst substance is implied.

Synthesis of 5-Dialkyl(arylaminomethyl-8-hydroxyquinoline Dansylates as Selective Fluorescent Sensors for Fe3+

Directory of Open Access Journals (Sweden)

Yaowu Sha

2007-05-01

Full Text Available A series of 5-dialkyl(arylaminomethyl-8-hydroxyquinoline dansylates were synthesized and their fluoroionophoric properties toward representative alkali ions, alkaline earth ions and transition metal ions were investigated. Among the selected ions, Fe3+ caused considerable quenching of the fluorescence, while Cr3+ caused quenching to some extent. The absence of any significant fluorescence quenching effects of the other ions examined, especially Fe2+, renders these compounds highly useful Fe3+-selective fluorescent sensors.

Dispersive electron transport in tris(8-hydroxyquinoline) aluminum (Alq3) probed by impedance spectroscopy.

Science.gov (United States)

Berleb, Stefan; Brütting, Wolfgang

2002-12-31

Electron transport in tris(8-hydroxyquinoline) aluminum (Alq3) is investigated by impedance spectroscopy under conditions of space-charge limited conduction (SCLC). Existing SCLC models are extended to include the field dependence of the charge carrier mobility and energetically distributed trap states. The dispersive nature of electron transport is revealed by a frequency-dependent mobility with a dispersion parameter alpha in the range 0.4-0.5, independent of temperature. This indicates that positional rather than energetic disorder is the dominant mechanism for the dispersive transport of electrons in Alq3.

Luminescent hybrid materials based on (8-hydroxyquinoline)-substituted metal-organic complexes and lead-borate glasses

Science.gov (United States)

Petrova, Olga B.; Anurova, Maria O.; Akkuzina, Alina A.; Saifutyarov, Rasim R.; Ermolaeva, Ekaterina V.; Avetisov, Roman I.; Khomyakov, Andrew V.; Taydakov, Ilya V.; Avetissov, Igor Ch.

2017-07-01

Novel luminescent organic-inorganic hybrid materials based on 8-hydroxyquinoline metal complexes (Liq, Kq, Naq, Rbq, Mgq2, Srq2, Znq2, Scq3, Alq3, Gaq3, and Inq3) have been synthesized by a high temperature exchange reaction with 80PbF2-20B2O3 inorganic low-melting glass. The mechanical and optical properties, transmission spectra, emission an excitation photoluminescence, and luminescence kinetic of hybrid materials were studied. All hybrid materials showed a wide luminescence band in the range 400-700 nm.

Postmodification of MOF-5 using secondary complex formation using 8- hydroxyquinoline (HOQ) for the development of visible light active photocatalysts

Science.gov (United States)

Thakare, Sanjay R.; Ramteke, Shruti M.

2018-05-01

A novel HOQ@MOF-5 compound photocatalyst was successfully constructed by interacting 8- Hydroxyquinoline with MOF-5 synthesized through a room temperature method. The secondary complex formation between the Zn cluster with 8-Hydroxyquinoline harnessed visible light and acted as a mediator to transfer photoinduced electrons to MOF-5 for enhancing the photocatalytic reaction rate with visible light. HOQ@MOF-5 was characterized by various spectroscopic techniques, such as XRD showing the crystalline nature of compound, UV-Visible spectroscopy showing the 2.54 eV band gap of HOQ@MOF-5 and morphological analysis tools, such as the nanoparticle nature of the compound with 9.561 nm particle size. The photocatalytic effect was estimated using the photocatalytic degradation of phenol as a representative organic pollutant under visible light irradiation. This work provides a new compound acting as source of electrons transfer for the development of efficient photocatalysts for remediation of environmental pollution.

Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

Science.gov (United States)

Saçmacı, Mustafa; Çavuş, Hatice Kanbur; Arı, Hatice; Şahingöz, Recep; Özpozan, Talat

2012-11-01

Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, 1H and 13C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90 eV for direct and indirect transitions, respectively.

Analysis of molybdenum, tungsten, and vanadium in surface water of the Atlantic Ocean using solid phase extraction with 8-hydroxyquinoline and ICP MS determination

Science.gov (United States)

Rimskaya-Korsakova, M. N.; Berezhnaya, E. D.; Dubinin, A. V.

2017-07-01

An analytical technique is proposed to determine ultratrace concentrations of Mo, V, and W found in seawater using mass spectrometry with inductively coupled plasma (ICP MS) after preliminary concentration by solid-phase extraction of metal complexes with 8-hydroxyquinoline (8-HQ) on C18 octadecyl silica. The technique utilizes 150 mL of a water sample. A preconcentration factor 50 is obtained. The detection limits are 0.25 nmol/kg, 0.041 nmol/kg, and 5 pmol/kg for Mo, V, and W, respectively. Dissolved Mo, V, and Wconcentrations in surface seawater from Atlantic Ocean transect were determined. The concentrations ranges along the transect were: 91-108 nmol/kg for Mo, 28-35 nmol/kg for V, and 55-75 pmol/kg for W. The Mo/W ratio varied from 1300 to 1800.

High-efficiency tris(8-hydroxyquinoline)aluminum (Alq3) complexes for organic white-light-emitting diodes and solid-state lighting.

Science.gov (United States)

Pérez-Bolívar, César; Takizawa, Shin-ya; Nishimura, Go; Montes, Victor A; Anzenbacher, Pavel

2011-08-08

Combinations of electron-withdrawing and -donating substituents on the 8-hydroxyquinoline ligand of the tris(8-hydroxyquinoline)aluminum (Alq(3)) complexes allow for control of the HOMO and LUMO energies and the HOMO-LUMO gap responsible for emission from the complexes. Here, we present a systematic study on tuning the emission and electroluminescence (EL) from Alq(3) complexes from the green to blue region. In this study, we explored the combination of electron-donating substituents on C4 and C6. Compounds 1-6 displayed the emission tuning between 478 and 526 nm, and fluorescence quantum yield between 0.15 and 0.57. The compounds 2-6 were used as emitters and hosts in organic light-emitting diodes (OLEDs). The highest OLED external quantum efficiency (EQE) observed was 4.6%, which is among the highest observed for Alq(3) complexes. Also, the compounds 3-5 were used as hosts for red phosphorescent dopants to obtain white light-emitting diodes (WOLED). The WOLEDs displayed high efficiency (EQE up to 19%) and high white color purity (color rendering index (CRI≈85). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Efficiency and stability of different tris(8-hydroxyquinoline) aluminium (Alq3) derivatives in OLED applications

International Nuclear Information System (INIS)

Kwong, C.Y.; Djurisic, A.B.; Choy, W.C.H.; Li, D.; Xie, M.H.; Chan, W.K.; Cheah, K.W.; Lai, P.T.; Chui, P.C.

2005-01-01

In this work, we have investigated the material stability and organic light emitting diode (OLED) performance for tris-(8-hydroxyquinoline) aluminium (Alq 3 ) and for three of the Alq 3 derivatives. For each material, electron spin resonance (ESR) measurements were performed and the degradation of photoluminescence (PL) with atmosphere exposure was studied. Performance of OLEDs based on these materials was also studied. The device structure was ITO/N,N'-di(naphthalene-1-yl)-N,N'-diphenyl-benzidine (NPB) (50 nm)/Alq 3 or Alq 3 derivatives (60 nm)/LiF (0.3 nm)/Al (60 nm). It was found that the rate of PL decay of the films correlates strongly with the existence of ESR signal. However, stability of OLEDs fabricated from these materials showed no direct relationship with PL decay in the films. This indicates that the dominant degradation mechanism in OLEDs is related to the passage of electric current through the device. Detailed discussion of the performances of four light emitting materials in terms of efficiency and stability is given

Evaluating Origin of Electron Traps in Tris(8-hydroxyquinoline) Aluminum Thin Films using Thermally Stimulated Current Technique

OpenAIRE

Matsushima, Toshinori; Adachi, Chihaya

2008-01-01

We measured the energy distributions and concentrations of electron traps in O_2-unexposed and O_2-exposed tris(8-hydroxyquinoline) aluminum (Alq_3) films using a thermally stimulated current (TSC) technique to investigate how doping O_2 molecules in Alq_3 films affect the films' electron trap and electron transport characteristics. The results of our TSC studies revealed that Alq_3 films have an electron trap distribution with peak depths ranging from 0.075 to 0.1 eV and peak widths ranging ...

Removal of copper, nickel and zinc ions from aqueous solution by chitosan-8-hydroxyquinoline beads

Energy Technology Data Exchange (ETDEWEB)

Barros, Francisco C.F.; Dias, Francisco S.; Vasconcellos, Luiz C.G. [Departamento de Quimica Organica e Inorganica, Campus do Pici - Universidade Federal do Ceara, Fortaleza (Brazil); Sousa, Francisco W. [Departamento de Engenharia Hidraulica e Ambiental, Campus do Pici - Universidade Federal do Ceara, Fortaleza (Brazil); Cavalcante, Rivelino M.; Carvalho, Tecia V.; Queiroz, Danilo C. [Departamento de Quimica Analitica e Fisico Quimica, Campus do Pici - Universidade Federal do Ceara, Fortaleza (Brazil); Nascimento, Ronaldo F.

2008-03-15

In this work, 8-hydroxyquinoline is used as the active sites in cross-linked chitosan beads with epichlorohydrin (CT-8HQ). The CT-8HQ material was shaped in bead form and used for heavy metal removal from aqueous solution. The study was carried out at pH 5.0 with both batch and column methods and the maximum adsorption capacity of metal ions by the CT-8HQ was attained in 4 h in the batch experiment. The adsorption capacity order was: Cu{sup 2+} > Ni{sup 2+} > Zn{sup 2+} for both mono- and multi-component systems with batch conditions. From breakthrough curves with column conditions, the adsorption capacity followed the order Cu{sup 2+} > Zn{sup 2+} > Ni{sup 2+} for both mono- and multi-component systems. The CT-8HQ beads maintained good metal adsorption capacity for all five cycles with absorbent restoration achieved with the use of 1.0 mol L{sup -1} HCl solution, with 90% regeneration. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

Influence of high hydrostatic pressure on Alq3, Gaq3, and Inq3 (q = 8-hydroxyquinoline).

Science.gov (United States)

Hernández, Ignacio; Gillin, William P

2009-10-29

We have studied the spectroscopic properties of OLED materials Alq(3), Gaq(3) and Inq(3) (q = 8-hydroxyquinoline) under pressure. We discuss the results in terms of the influence of structural modifications, the isomeric state and the enhancement of the intermolecular interaction. As-grown Alq(3), Gaq(3), Inq(3) containing meridional (mer) isomer experience a red shift of nearly 90 nm (2400 cm(-1)) in the 0-8 GPa range. Abrupt changes in the photoluminescence occur during compression at intermediate pressures for all materials. We assign them to a phase transition, its critical pressure depending on the central cation. All three samples experience an amorphization at P approximately 6 GPa, with associated changes in the spectroscopic properties. The pressure-induced phase transitions present hysteresis to ambient conditions. Photoluminescence lifetime decreases in all cases in the explored pressure range. In the case of facial isomer containing polymorphs of Alq(3), luminescence does not change its energy significantly. The most significant spectroscopic change observed in fac-isomer containing materials corresponds to gamma-Alq(3), which presents a low energy component that gains relative importance when pressure is increased. We ascribe this phenomenon to the presence of sensitized mer isomer impurities.

Molecularly ordered aluminum tris-(8-hydroxyquinoline) thin films grown by hot-wall deposition

Energy Technology Data Exchange (ETDEWEB)

Tapponnier, A. [Nonlinear Optics Laboratory, Institute of Quantum Electronics, Swiss Federal Institute of Technology Zuerich (ETH), CH-8093 Zurich (Switzerland)]. E-mail: axelle@phys.ethz.ch; Khan, R.U.A. [Nonlinear Optics Laboratory, Institute of Quantum Electronics, Swiss Federal Institute of Technology Zuerich (ETH), CH-8093 Zurich (Switzerland); Marcolli, C. [Institute of Atmospheric and Climate Sciences, Swiss Federal Institute of Technology Zuerich (ETH), CH-8092 Zurich (Switzerland); Guenter, P. [Nonlinear Optics Laboratory, Institute of Quantum Electronics, Swiss Federal Institute of Technology Zuerich (ETH), CH-8093 Zurich (Switzerland)

2007-01-22

We report on the growth and microstructural analysis of molecularly ordered thin film layers of aluminum tris-(8-hydroxyquinoline) (Alq{sub 3}) by hot-wall deposition onto amorphous glass substrates. Using transmission electron microscopy (TEM), ordering on a scale of 100 nm was observed. Raman measurements of these films indicated that they corresponded to the {alpha}-polymorph of crystalline Alq{sub 3}, and photoluminescence measurements exhibited a single broad peak centered at 500 nm, which is also consistent with the {alpha}-form. As a comparison, we deposited films of Alq3 using organic molecular beam deposition (OMBD), which exhibited no molecular ordering from the TEM studies. For these films, strong point-to-point variations in the Raman spectrum, and the existence of a double peak in the photoluminescence at 500 and 522 nm were observed. These measurements indicate that the OMBD films possess a mixture of both {alpha} and amorphous phases.

Determination of UO2(II), and Ce(III) complexes formed with halogen and nitro derivatives of 8-hydroxyquinoline

International Nuclear Information System (INIS)

Teksoez, S.; Uenak, P.

2001-01-01

Proton-ligand stability constants for some iodo and nitro derivatives of 8-hydroxyquinoline were determined by Calvin Bjerrum potantiometrical method. The stability constants of the corresponding chelates with UO 2 (II), Th(IV) and Ce(III) were studied potentiometrically at 25 degree Celsius by applying Irving-Rossotti computing method. The complexes of the nitro-substituted ligands were less stable than the corresponding complexes of the unsubstituted ligands. The stability constants of metal-ligands depend on the ionic radii and ionic charge of metals and also they decrease with steric repulsions of the nitro groups

Enzymatic synthesis of {sup 125/131}I labeled 8-hydroxyquinoline glucuronide and in vitro/in vivo evaluation of biological influence

Energy Technology Data Exchange (ETDEWEB)

Yesilagac, Reyhan [Ege University, Institute of Nuclear Science, 35100 Bornova, Izmir (Turkey); Unak, Perihan, E-mail: perihan.unak@ege.edu.t [Ege University, Institute of Nuclear Science, 35100 Bornova, Izmir (Turkey); Medine, E. Ilker; Ichedef, Cigdem A. [Ege University, Institute of Nuclear Science, 35100 Bornova, Izmir (Turkey); Ertay, Turkan [Dokuz Eyluel University, Medical School, Department of Nuclear Medicine, Inciralti, Izmir (Turkey); Mueftueler, F.Z. Biber [Ege University, Institute of Nuclear Science, 35100 Bornova, Izmir (Turkey)

2011-02-15

8-Hydroxyquinoline (8-OHQ) is a long-known molecule which due to its metal-complexation ability is frequently used for analysis. It is also called oxine. Oxine and derivatives have been investigated to process antitumor and antimicrobial activities. 8-Hydroxyquinolyl-glucuronide (8-OHQ-Glu) was enzymatically synthesized using microsome preparates separated from Hutu-80 cells, labeled with {sup 125}I to perform a radionuclide labeled prodrug and investigated of its biological affinities on Hutu-80 (human duodenum intestinal adenocarcinoma), Caco-2 (human colorectal adenocarcinoma), Detroit 562 (human pharynx adenocarcinoma) cells and ACBRI 519 (primary human small intestine epithelial cells) in this work. UDP-glucuronyl transferase (UDPGT) rich microsome preparates, which are used for glucuronidation in enzymatic synthesis, were extracted from Hutu-80 cells. 8-OHQ-Glu components were labeled using iodogen method with {sup 125}I and {sup 131}I. Structural analyses were performed with LC/MS/MS, {sup 1}H NMR and {sup 13}C-MMR for identify and measure chemical constituents. Results confirmed expected molecular structure. 8-OHQ-Glu could successfully radioiodinated with {sup 125/131}I according to iodogen method. {sup 125}I-8-OHQ-glucuronide incorporated with human gastrointestinal cancer cells such as Detroit-562 (human pharynx adenocarcinoma) (12.6%), Caco-2 (human colorectal adenocarcinoma) (7.8%), Hutu- 80 (human duodenum intestinal adenocarcinoma) (9.5%) and ACBRI 519 (primary human small intestine epithelial cells) (6.40%). {sup 131}I-8-OHQ-Glu was tested in mice bearing subcutaneously implanted Caco-2 colorectal adenocarcinoma cells. The results demonstrated that radioiodinated 8-OHQ-Glu may be promising anticancer prodrug.

Site-specific tagging proteins with a rigid, small and stable transition metal chelator, 8-hydroxyquinoline, for paramagnetic NMR analysis

Energy Technology Data Exchange (ETDEWEB)

Yang, Yin; Huang, Feng [Nankai University, State Key Laboratory of Elemento-Organic Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) (China); Huber, Thomas [Australian National University, Research School of Chemistry (Australia); Su, Xun-Cheng, E-mail: xunchengsu@nankai.edu.cn [Nankai University, State Key Laboratory of Elemento-Organic Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) (China)

2016-02-15

Design of a paramagnetic metal binding motif in a protein is a valuable way for understanding the function, dynamics and interactions of a protein by paramagnetic NMR spectroscopy. Several strategies have been proposed to site-specifically tag proteins with paramagnetic lanthanide ions. Here we report a simple approach of engineering a transition metal binding motif via site-specific labelling of a protein with 2-vinyl-8-hydroxyquinoline (2V-8HQ). The protein-2V-8HQ adduct forms a stable complex with transition metal ions, Mn(II), Co(II), Ni(II), Cu(II) and Zn(II). The paramagnetic effects generated by these transition metal ions were evaluated by NMR spectroscopy. We show that 2V-8HQ is a rigid and stable transition metal binding tag. The coordination of the metal ion can be assisted by protein sidechains. More importantly, tunable paramagnetic tensors are simply obtained in an α-helix that possesses solvent exposed residues in positions i and i + 3, where i is the residue to be mutated to cysteine, i + 3 is Gln or Glu or i − 4 is His. The coordination of a sidechain carboxylate/amide or imidazole to cobalt(II) results in different structural geometries, leading to different paramagnetic tensors as shown by experimental data.

In situ monitoring of thermal crystallization of ultrathin tris(8-hydroxyquinoline) aluminum films using surface-enhanced Raman scattering.

Science.gov (United States)

Muraki, Naoki

2014-01-01

Thermal crystallization of 3, 10, and 60 nm-thick tris(8-hydroxyquinoline)aluminum (Alq3) films is studied using surface-enhanced Raman scattering with a constant heating rate. An abrupt higher frequency shift of the quinoline-stretching mode is found to be an indication of a phase transition of Alq3 molecules from amorphous to crystalline. While the 60 nm-thick film shows the same crystallization temperature as a bulk sample, the thinner films were found to have a lower crystallization temperature and slower rate of crystallization. Non-isothermal kinetics analysis is performed to quantify kinetic properties such as the Avrami exponent constants and crystallization rates of ultrathin Alq3 films.

Enhanced performance of C60 organic field effect transistors using a tris(8-hydroxyquinoline) aluminum buffer layer

Energy Technology Data Exchange (ETDEWEB)

Zheng Hong; Cheng Xiaoman; Tian Haijun [Institute of Material Physics, Key Laboratory of Display Material and Photoelectric Devices, Ministry of Education, Tianjin University of Technology, Tianjin 300384 (China); Zhao Geng, E-mail: zheng_033@163.com [School of Science, Tianjin University of Technology, Tianjin 300384 (China)

2011-09-15

We have investigated the properties of C60-based organic field effect transistors (OFETs) with a tris(8-hydroxyquinoline) aluminum (Alq3) buffer layer inserted between the source/drain electrodes and the active material. The electrical characteristics of OFETs are improved with the insertion of Alq3 film. The peak field effect mobility is increased to 1.28 x 10{sup -2} cm{sup 2}/(V{center_dot}s) and the threshold voltage is decreased to 10 V when the thickness of the Alq3 is 10 nm. The reason for the improved performance of the devices is probably due to the prevention of metal atoms diffusing into the C60 active layer and the reduction of the channel resistance in Alq3 films. (semiconductor devices)

Monitoring underlying epoxy-coated St-37 corrosion via 8-hydroxyquinoline as a fluorescent indicator

Science.gov (United States)

Roshan, Shamim; Sarabi Dariani, Ali Asghar; Mokhtari, Javad

2018-05-01

In the present study, successful performance of 8-hydroxyquinoline (8-HQ) as a ferric ion sensitive indicator is described. 8-HQ was used in epoxy coating because of its desirable properties. It doesn't exhibit premature fluorescence when mixed with coating precursors. Additionally it shows fluorescence turn-on mechanism upon chelate formation with Fe2+/Fe3+ ions produced during anodic reaction. The effect of different concentrations of 8-HQ (0.05, 0.1, 0.5 and 1 wt.%) incorporated in the epoxy coating on corrosion detection as well as optical and electrochemical behavior of the applied coating were studied. The fluorescence property of 8-HQ/Fe3+ solutions was evaluated by using fluorometer. The UV-Visible spectroscopy was used to investigate the effect of 8-HQ presence in the coating on transparency of the free films of the samples. The corrosion detection was performed by fluorescence microscope and the anti-corrosion performance of coated samples containing different concentrations of 8-HQ was studied using salt spray standard test and electrochemical impedance spectroscopy (EIS). The results of UV-Visible spectroscopy demonstrated that increasing 8-HQ concentration causes a slight decrease in coating transparency. According to the results of electrochemical impedance spectroscopy (EIS) measurements, the polarization resistance of the coated St-37 sample containing 0.1 wt.% 8-HQ was about 109 Ohm cm2 after 6 weeks immersion in corrosive electrolyte, while St-37 plates coated with other 8-HQ concentrations showed decreased resistance levels of about 106 Ohm cm2, during the same immersion period. Based on fluorescence microscopic investigation, as a result of incorporating 8-HQ into the epoxy matrix, fluorescence could be observed in regions where Fe2+/Fe3+ ions were produced through anodic reactions. This method is capable of detecting corrosion in situ at early stages before the metal surface suffers serious damages.

A matrix-focused structure-activity and binding site flexibility study of quinolinol inhibitors of botulinum neurotoxin serotype A.

Science.gov (United States)

Harrell, William A; Vieira, Rebecca C; Ensel, Susan M; Montgomery, Vicki; Guernieri, Rebecca; Eccard, Vanessa S; Campbell, Yvette; Roxas-Duncan, Virginia; Cardellina, John H; Webb, Robert P; Smith, Leonard A

2017-02-01

Our initial discovery of 8-hydroxyquinoline inhibitors of BoNT/A and separation/testing of enantiomers of one of the more active leads indicated considerable flexibility in the binding site. We designed a limited study to investigate this flexibility and probe structure-activity relationships; utilizing the Betti reaction, a 36 compound matrix of quinolinol BoNT/A LC inhibitors was developed using three 8-hydroxyquinolines, three heteroaromatic amines, and four substituted benzaldehydes. This study has revealed some of the most effective quinolinol-based BoNT/A inhibitors to date, with 7 compounds displaying IC 50 values ⩽1μM and 11 effective at ⩽2μM in an ex vivo assay. Published by Elsevier Ltd.

White light emission from exciplex using tris-(8-hydroxyquinoline)aluminum as chromaticity-tuning layer

International Nuclear Information System (INIS)

Feng, Jing; Li, Feng; Gao, Wenbao; Liu, Shiyong; Liu, Yu; Wang, Yue

2001-01-01

We demonstrate efficient organic white light-emitting devices (LEDs), using N,N prime-diphenyl-N,N prime-bis(1-naphthyl) - (1,1 prime-biphenyl)-4,4 prime-diamine (NPB) as the hole-transporting layer, 1,6-bis(2-hydroxyphenyl)pyridine boron complex [(dppy)BF] as the emitting layer, tris-(8-hydroxyquinoline)aluminum (Alq) as the electron-transporting and chromaticity-tuning layer. The white light comes from exciplex emission at the solid-state interface between (dppy)BF and NPB in addition to the exciton emission from NPB and (dppy)BF, respectively. The chromaticity of white emission can be tuned by adjusting the thickness of the Alq layer. The white LEDs with an Alq thickness of 15 nm exhibit a maximum luminescence of 2000 cd/m2 and efficiency of 0.58 lm/W, and the Commission Internationale De l'Eclairage coordinates of resulting emission vary from (0.29,0.33) to (0.31,0.35) with increasing forward bias from 10 to 25 V. The region is very close to the equienergy white point (0.33,0.33). [copyright] 2001 American Institute of Physics

Synthesis and electroluminescence characterization of a new aluminum complex, [8-hydroxyquinoline] bis [2, 2'bipyridine] aluminum Al(Bpy)2q

Science.gov (United States)

Rahul, Kumar; Ritu, Srivastava; Punita, Singh

2016-01-01

We have synthesized and characterized a new electroluminescent material, [8-hydroxyquinoline] bis [2,2'bipyridine] aluminum. A solution of this material Al(Bpy)2q in toluene showed absorption maxima at 380 nm, which was attributed to the moderate energy (π-π*) transitions of the aromatic rings. The photoluminescence spectrum of Al(Bpy)2q in the toluene solution showed a peak at 518 nm. This material shows thermal stability up to 300 °C. The structure of the device is ITO/F4-TCNQ (1 nm)/α-NPD (35 nm)/Al(Bpy)2q (35 nm)/ BCP (6 nm)/Alq3 (28 nm)/LiF (1 nm)/Al (150 nm). This device exhibited a luminescence peak at 515 nm (CIE coordinates, x = 0.32, y = 0.49). The maximum luminescence of the device was 214 cd/m2 at 21 V. The maximum current efficiency of OLED was 0.12 cd/A at 13 V and the maximum power efficiency was 0.03 lm/W at 10 V.

Synthesis and electroluminescence properties of a new aluminium complex [5-choloro-8-hydroxyquinoline] bis [2,2'bipyridine] Aluminium Al(Bpy)2(5-Clq)

Science.gov (United States)

Kumar, Rahul; Bhargava, Parag; Srivastava, Ritu; Singh, Punita

2015-11-01

We have synthesized a new aluminium complex, [5-choloro-8-hydroxyquinoline] bis[2,2'bipyridine] Aluminium Al(Bpy)2(5-Clq) and characterized it for structural, thermal and photoluminescence properties. The prepared material was characterized by Fourier -transformed infra-red spectroscopy (FTIR), thermal gravimetric analysis (TGA) and photoluminescence. The prepared material showed thermal stability up to 240 °C. The photoluminescence spectrum of Al(Bpy)2(5-Clq) in toluene solution showed peak at 515 nm. This material was used as an emissive layer in organic light emitting diodes (OLEDs). The fundamental structure of device is ITO/F4-TCNQ(1 nm)/α-NPD(35 nm)/Al(Bpy)2(5-Clq) (35 nm)/BCP(6 nm)/Alq3(28 nm)/LiF(1 nm)/Al(150 nm). The device emits an yellowish green light (CIE coordinates, x = 0.32, y = 0.52) with maximum luminescence 314 Cd/m2 at 18 V. The maximum current efficiency of OLED was 0.09 Cd/A and maximum power efficiency was 0.03 lm/W at 9 V respectively.

Formation and Entrapment of Tris(8-hydroxyquinolinealuminum from 8-Hydroxyquinoline in Anodic Porous Alumina

Directory of Open Access Journals (Sweden)

Shohei Yamaguchi

2016-08-01

Full Text Available The formation and entrapment of tris(8-hydroxyquinolinealuminum (Alq3 molecules on the surface of anodic porous alumina (APA immersed in an ethanol solution of 8-hydroxyquinoline (HQ were investigated by absorption, fluorescence, and Raman spectroscopies. The effects of the selected APA preparation conditions (galvanostatic or potentiostatic anodization method, anodizing current and voltage values, one- or two-step anodizing process, and sulfuric acid electrolyte concentration on the adsorption and desorption of Alq3 species were examined. Among the listed parameters, sulfuric acid concentration was the most important factor in determining the Alq3 adsorption characteristics. The Alq3 content measured after desorption under galvanostatic conditions was 2.5 times larger than that obtained under potentiostatic ones, regardless of the adsorbed quantities. The obtained results suggest the existence of at least two types of adsorption sites on the APA surface characterized by different magnitudes of the Alq3 bonding strength. The related fluorescence spectra contained two peaks at wavelengths of 480 and 505 nm, which could be attributed to isolated Alq3 species inside nanovoids and aggregated Alq3 clusters in the pores of APA, respectively. The former species were attached to the adsorption sites with higher binding energies, whereas the latter ones were bound to the APA surface more weakly. Similar results were obtained for the Alq3 species formed from the HQ solution, which quantitatively exceeded the number of the Alq3 species adsorbed from the Alq3 solution. Alq3 molecules were formed in the HQ solution during the reaction of HQ molecules with the Al3+ ions in the oxide dissolution zone near the oxide/electrolyte interface through the cracks and the Al3+ ions adsorbed on surface of pore and cracks. In addition, it was suggested that HQ molecules could penetrate the nanovoids more easily than Alq3 species because of their smaller sizes, which

Influence of 8-hydroxyquinoline on properties of anodic coatings obtained by micro arc oxidation on AZ91 magnesium alloys

Energy Technology Data Exchange (ETDEWEB)

Zhang, R.F. [Jiangxi Key Laboratory of Surface Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013 (China); School of Material Science and Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013 (China); Zhang, S.F., E-mail: zhangshufang790314@sina.com [Jiangxi Key Laboratory of Surface Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013 (China); School of Material Science and Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013 (China); Yang, N.; Yao, L.J.; He, F.X.; Zhou, Y.P.; Xu, X.; Chang, L.; Bai, S.J. [School of Material Science and Engineering, Jiangxi Science and Technology Normal University, Nanchang 330013 (China)

2012-10-25

Highlights: Black-Right-Pointing-Pointer 8-HQ can promote the coating formation and change the coating color. Black-Right-Pointing-Pointer 8-HQ can increase the coating thickness and decrease the pore size. Black-Right-Pointing-Pointer Insoluble Mg(HQ){sub 2} is formed in anodic coatings in an alkaline solution with 8-HQ. Black-Right-Pointing-Pointer 8-HQ improves the corrosion resistance of the anodized magnesium alloys. - Abstract: The influence of 8-hydroxyquinoline (8-HQ) on formation and properties of anodic coatings obtained by micro arc oxidation (MAO) on AZ91 magnesium alloys was studied by scanning electron microscope (SEM), energy dispersive spectrometry (EDS), Fourier transform infrared (FT-IR) spectroscopy and potentiodynamic polarization tests. The results demonstrate that 8-HQ can decrease the solution conductivity, take part in the coating formation and change the coating color. By developing anodic coatings with increasing thickness, insoluble Mg(HQ){sub 2} and small pore size, 8-HQ improves the corrosion resistance of the anodized magnesium alloys. The coating shows the best corrosion resistance in the solution of 10 g/L NaOH and 18 g/L Na{sub 2}SiO{sub 3} with 2 g/L 8-HQ.

Synthesis and characterization of a new photoluminescent aluminium complex bis (8-hydroxyquinoline) (2,2'bipyridine) aluminium Al(Bpy)q2

Science.gov (United States)

Kumar, Rahul; Bhargava, Parag

2018-04-01

A new photoluminescent material, Bis(8-hydroxyquinoline) (2,2'bipyridine) aluminium Al(Bpy)q2 has been synthesized and characterized. Solution of this material Al(Bpy)q2 in ethanol showed absorption maxima at 370nm which was attributed to the moderate energy (π - π*) transitions of the aromatic rings. The photoluminescence spectrum of Al(Bpy)q2 in ethanol solution showed peak at 516 nm. This material shows thermal stability up to 385°C. The time resolved photoluminescence spectra of the material showed two life time components. The decay times of the first and second component are 6.1 ns and 24.5 ns respectively.

Improved performances of red organic light-emitting devices by co-doping a rubrene derivative and DCJTB into tris-(8-hydroxyquinoline) aluminum host

Energy Technology Data Exchange (ETDEWEB)

Li Tianle [Physics Department, School of Science, Maoming University, Maoming 525000 (China); Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Li Wenlian, E-mail: wllioel@yahoo.com.c [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Li Xiao [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Chu Bei, E-mail: beichubox@hotmail.co [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Su Zisheng; Han Liangliang; Chen Yiren [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Hu Zhizhi; Zhang Zhiqiang [Optic Photo-Electronic Materials and Research Development Center, Liaoning University of Science and Technology, Anshan 114044 (China)

2010-10-15

Performances of red organic light-emitting device were improved by co-doping 2-formyl-5,6,11,12-tetraphenylnaphthacene (2FRb) and 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetra-methyljulolidyl-9-enyl) -4H-pyran (DCJTB) in tris-(8-hydroxyquinoline) aluminum (Alq{sub 3}) host as the emitting layer. The device with 1 wt% DCJTB and 2.4 w% 2FRb in Alq{sub 3} host gave a saturated red emission with CIE chromaticity coordinates of (0.65, 0.35) and a maximum current efficiency as high as 6.45 cd/A, which are 2 and 2.4 fold larger than that of the device with 1 wt% DCJTB (3.28 cd/A) in Alq{sub 3} host and the device with 2.4 wt% 2FRb (2.72 cd/A) in Alq{sub 3} host at the current density of 20 mA/cm{sup 2}, respectively. The improvement could be attributed to the effective utilization of host energy by both energy transfer and trapping in the electroluminescence process and the depression of concentration quenching between the dopants molecules.

Thermoanalytical Study and Kinetics of New 8-Hydroxyquinoline 5-sulphonic Acid-Oxamide-Formaldehyde Terpolymer Resins

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Rajesh N. Singru

2009-01-01

Full Text Available The terpolymer resins (8-HQ5-SAOF have been synthesized by the condensation of 8-hydroxyquinoline 5-sulphonic acid (8-HQ5-SA and oxamide (O with formaldehyde (F in the presence of acid catalyst and using varied molar proportion of the reacting monomers. The synthesized terpolymer resins have been characterized by different physico-chemical techniques. Thermogravimetric analysis of all terpolymer resins in present study have been carried out by non-isothermal thermogravimetric analysis technique in which sample is subjected to condition of continuous increase in temperature at linear rate. Thermal study of the resins was carried out to determine their mode of decomposition and relative thermal stabilities. Thermal decomposition curves were studied carefully with minute details. The Freeman-Carroll and Sharp-Wentworth methods have been used in the present investigation to calculate thermal activation energy and different kinetic parameter of the terpolymer resins. Thermal activation energy (Ea calculated with above two mentioned methods are in close agreement. The advantage of Freeman-Carroll method is to calculate both the order of reaction (n and energy of activation in one single stage by keeping heating rate constant. By using data of thermogravimetric analysis, various thermodynamic parameters like frequency factor (Z, entropy change (Δ S, free energy change (Δ F and apparent entropy (S* have been determined using Freeman-Carroll method.

Covalent Organic Framework Functionalized with 8-Hydroxyquinoline as a Dual-Mode Fluorescent and Colorimetric pH Sensor.

Science.gov (United States)

Chen, Long; He, Linwei; Ma, Fuyin; Liu, Wei; Wang, Yaxing; Silver, Mark A; Chen, Lanhua; Zhu, Lin; Gui, Daxiang; Diwu, Juan; Chai, Zhifang; Wang, Shuao

2018-05-09

Real-time and accurate detection of pH in aqueous solution is of great significance in chemical, environmental, and engineering-related fields. We report here the use of 8-hydroxyquinoline-functionalized covalent organic framework (COF-HQ) for dual-mode pH sensing. In the fluorescent mode, the emission intensity of COF-HQ weakened as the pH decreased, and also displayed a good linear relationship against pH in the range from 1 to 5. In addition, COF-HQ showed discernible color changes from yellow to black as the acidity increased and can be therefore used as a colorimetric pH sensor. All these changes are reversible and COF-HQ can be recycled for multiple detection runs owing to its high hydrolytical stability. It can be further assembled into a mixed matrix membrane for practical applications.

Synthesis and electroluminescence characterization of a new aluminum complex, [8-hydroxyquinoline] bis [2, 2'bipyridine] aluminum Al(Bpy)2q

International Nuclear Information System (INIS)

Rahul, Kumar; Ritu, Srivastava; Punita, Singh

2016-01-01

We have synthesized and characterized a new electroluminescent material, [8-hydroxyquinoline] bis [2,2'bipyridine] aluminum. A solution of this material Al(Bpy) 2 q in toluene showed absorption maxima at 380 nm, which was attributed to the moderate energy (π–π*) transitions of the aromatic rings. The photoluminescence spectrum of Al(Bpy) 2 q in the toluene solution showed a peak at 518 nm. This material shows thermal stability up to 300 °C. The structure of the device is ITO/F4-TCNQ (1 nm)/α-NPD (35 nm)/Al(Bpy) 2 q (35 nm)/ BCP (6 nm)/Alq 3 (28 nm)/LiF (1 nm)/Al (150 nm). This device exhibited a luminescence peak at 515 nm (CIE coordinates, x = 0.32, y = 0.49). The maximum luminescence of the device was 214 cd/m 2 at 21 V. The maximum current efficiency of OLED was 0.12 cd/A at 13 V and the maximum power efficiency was 0.03 lm/W at 10 V. (paper)

Effects of thermal annealing on the optical, spectroscopic, and structural properties of tris (8-hydroxyquinolinate) gallium films grown on quartz substrates

Energy Technology Data Exchange (ETDEWEB)

Muhammad, Fahmi Fariq, E-mail: fahmi982@gmail.com [Low Dimensional Materials Research Center, Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Department of Physics, Faculty of Science and Engineering, University of Koya, Koya, Kurdistan Region (Iraq); Sulaiman, Khaulah [Low Dimensional Materials Research Center, Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2011-10-03

Highlights: {yields} Achieving a broad absorption band for Gaq3 covering the whole UV and some parts of visible spectra. {yields} Increasing photoluminescence emission to five times stronger than that of pristine film. {yields} Conformational changes towards the formation of crystalline {alpha}-Gaq3 polymorph. {yields} Determination of glass transition temperature for Gaq3 (T{sub g} 182 deg. C) and Alq3 (T{sub g} = 173 deg. C). {yields} Improving and understanding the physical properties of Gaq3 film by means of thermal treatment. - Abstract: In this study we report the optical, spectroscopic, and structural properties of vacuum deposited tris (8-hydroxyquinolinate) gallium film upon thermal annealing in the temperature range from 85 deg. C to 255 deg. C under a flowing nitrogen gas for 10 min. The optical UV-vis-NIR and luminescence spectroscopy measurements were performed to estimate the absorption bands, optical energy gap (E{sub g}), and photoluminescence (PL) of the films. Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) techniques were used to probe the spectroscopic and structural nature of the films. We show that, by annealing the films from 85 deg. C to 235 deg. C, it is possible to achieve an enhanced absorption and increased photoluminescence to five times stronger than that of the pristine film. The PL quenching at 255 deg. C was attributed to the presence of plainer chains allow easy going for excitons to a long distance due to the crystalline region formation of {alpha}-Gaq3 polymorph. The reduction in E{sub g} and infrared absorption bands upon annealing were referred to the enhancement in {pi}-{pi} interchain interaction and conformational changes by re-arrangement of the Gaq3 quinolinate ligands, respectively. Stokes shift for the films were observed and calculated. From the differential scanning calorimetry, DSC measurements, higher glass transition temperature was observed for Gaq3 (T{sub g} = 182 deg. C) compared to

Spinterface between tris(8-hydroxyquinoline)metal(III) molecules and magnetic surfaces: a first-principles study

Science.gov (United States)

Jiang, W.; Wang, Jingying; Dougherty, Daniel; Liu, Feng; Feng Liu Team; Daniel Dougherty Team

Using first-principles calculations, we have systematically investigated the hybridization between tris(8-hydroxyquinoline)metal(III) (Mq3, M = Fe, Cr, Al) molecules and magnetic substrates (Co and Cr). Mq3 with different central metal elements but the same organic framework has dramatically different interaction with different magnetic substrates, which affect the interface state significantly. AFM coupling was observed between magnetic Mq3 molecules and ferromagnetic (Co) as well as antiferromagnetic (Cr) substrate, manifested with a superexchange and direct exchange interaction, respectively. Such strong magnetic interfacial coupling may open a gap around the Fermi level and significantly change interface transport properties. Nonmagnetic Alq3 molecule was found to enhance the interface spin polarization due to hybridization between the lowest unoccupied molecular orbitals (LUMO) of Alq3 and metallic surface state. These findings will help better understand spinterface and shed new light on future application of Mq3 molecules in spintronics devices. This work was support by NSF-MRSEC (DMR-1121252) and DOE-BES (DE-FG02-04ER46148).

Improved organic light-emitting device with tris-(8-hydroxyquinoline) aluminium inserted between hole-injection layer and hole-transporting layer

Energy Technology Data Exchange (ETDEWEB)

Divayana, Y [School of Electrical and Electronic Engineering, Nanyang Technological University, Nanyang Avenue, Singapore 639798, Singapore (Singapore); Sun, X W [School of Electrical and Electronic Engineering, Nanyang Technological University, Nanyang Avenue, Singapore 639798, Singapore (Singapore); Chen, B J [School of Electrical and Electronic Engineering, Nanyang Technological University, Nanyang Avenue, Singapore 639798, Singapore (Singapore); Sarma, K R [Aerospace Electronic Systems, Honeywell, 21111 N 19th Avenue, Phoenix, AZ 85027 (United States)

2007-01-07

A layer of tris-(8-hydroxyquinoline) aluminium (Alq{sub 3}), which is normally used as an electron-transporting and emissive layer, was incorporated between the hole-transporting layer and the hole-injection layer to balance the electron-hole injection. The Alq{sub 3} layer performed to block the hole current which is a majority carrier in a typical organic light-emitting device. An increase in current efficiency by almost 30%, from 3.1 to 4.0 cd A{sup -1}, with a minimum voltage shift was achieved with a 2 nm Alq{sub 3} layer as a hole-blocking layer. A reduction in HTL thickness was observed to reduce the efficiency due to electron leakage to the HIL, whereby an inefficient exciplex emission was observed.

Photoluminescence of Alq3 - and Tb-activated aluminium-tris(8-hydroxyquinoline) complex for blue chip-excited OLEDs.

Science.gov (United States)

Yawalkar, P W; Dhoble, S J; Thejo Kalyani, N; Atram, R G; Kokode, N S

2013-01-01

The tris(8-hydroxyquinoline)-aluminium complex is the most important and widely studied as electron transporting and green light emitting material. Alq(3) and Tb(x) Al((1-x)) q(3) have been synthesized (where x = 0.1, 0.3, 0.5, 0.7 and 0.9) and blended films of Alq(3) and Tb(x) Al((1-x)) q(3) with PMMA and PS at different percentage weight (wt%) concentrations (e.g., 0.1, 1, 5, 10, 25 and 50 wt%) have been prepared. The synthesized materials and their blended thin films have been characterized by a photoluminescence (PL) technique; the synthesis and PL characterization are reported in this paper. The synthesized metal complex shows bright emission of green light with blue light excitation (440 nm) and the prepared Tb(x) Al((1-x)) q(3) phosphor may be applicable in blue chip-excited OLEDs for the newly developed wallpaper lighting technology. Copyright © 2012 John Wiley & Sons, Ltd.

Nanoscale investigation of moisture-induced degradation mechanisms of tris(8-hydroxyquinoline) aluminium-based organic light-emitting diodes

International Nuclear Information System (INIS)

Xu, M S; Xu, J B; Chen, H Z; Wang, M

2004-01-01

By exploiting tapping mode atomic force microscopy, the moisture-induced degradation mechanisms of ITO (indium tin oxide)-coated glass/CuPc (copper phthalocyanine)/NPB (N, N'-di(naphthalene-1-yl)-N, N'-diphthalbenzidine)/Alq 3 (tris(8-hydroxyquinoline) aluminium)-based organic light-emitting diodes without cathode were investigated. It is found that three types of degradation mechanisms are associated with moisture-exposed Alq 3 films, when the device is exposed to moisture, namely, hydration of Alq 3 , crystallization of Alq 3 and reaction of the Alq 3 complex with H 2 O. Crystallization of the NPB layer of ITO/CuPc/NPB was observed on exposure to moisture, and de-wetting simultaneously takes place at the interface of CuPc/NPB. Indium and/or oxygen may diffuse from ITO into the organic layers. These observations provide a clear picture of the moisture-induced degradation mechanisms of the ITO/CuPc/NPB/Alq 3 -based OLEDs

Energy transfer ultraviolet photodetector with 8-hydroxyquinoline derivative-metal complexes as acceptors

International Nuclear Information System (INIS)

Wu Shuang-Hong; Chen Zhi; Li Shi-Bin; Wang Xiao-Hui; Wei Xiong-Bang; Li Wen-Lian

2015-01-01

We choose 8-hydroxyquinoline derivative-metal complexes (Beq, Mgq, and Znq) as the acceptors (A) and 4,4',4”-tri-(2-methylphenyl phenylamino) triphenylaine (m-MTDATA) as the donor (D) respectively to study the existing energy transfer process in the organic ultraviolet (UV) photodetector (PD), which has an important influence on the sensitivity of PDs. The energy transfer process from D to A without exciplex formation is discussed, differing from the working mechanism of previous PDs with Gaq [Zisheng Su, Wenlian Li, Bei Chu, Tianle Li, Jianzhuo Zhu, Guang Zhang, Fei Yan, Xiao Li, Yiren Chen and Chun-Sing Lee 2008 Appl. Phys. Lett. 93 103309)] and REq [J. B. Wang, W. L. Li, B. Chu, L. L. Chen, G. Zhang, Z. S. Su, Y. R. Chen, D. F. Yang, J. Z. Zhu, S. H. Wu, F. Yan, H. H. Liu, C. S. Lee 2010 Org. Electron. 11 1301] used as an A material. Under 365-nm UV irradiation with an intensity of 1.2 mW/cm 2 , the m-MTDATA:Beq blend device with a weight ratio of 1:1 shows a response of 192 mA/W with a detectivity of 6.5× 10 11 Jones, which exceeds those of PDs based on Mgq (146 mA/W) and Znq (182 mA/W) due to better energy level alignment between m-MTDATA/Beq and lower radiative decay. More photophysics processes of the PDs involved are discussed in detail. (paper)

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

Science.gov (United States)

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

Energy transfer ultraviolet photodetector with 8-hydroxyquinoline derivative-metal complexes as acceptors

Science.gov (United States)

Wu, Shuang-Hong; Li, Wen-Lian; Chen, Zhi; Li, Shi-Bin; Wang, Xiao-Hui; Wei, Xiong-Bang

2015-02-01

We choose 8-hydroxyquinoline derivative-metal complexes (Beq, Mgq, and Znq) as the acceptors (A) and 4,4',4”-tri-(2-methylphenyl phenylamino) triphenylaine (m-MTDATA) as the donor (D) respectively to study the existing energy transfer process in the organic ultraviolet (UV) photodetector (PD), which has an important influence on the sensitivity of PDs. The energy transfer process from D to A without exciplex formation is discussed, differing from the working mechanism of previous PDs with Gaq [Zisheng Su, Wenlian Li, Bei Chu, Tianle Li, Jianzhuo Zhu, Guang Zhang, Fei Yan, Xiao Li, Yiren Chen and Chun-Sing Lee 2008 Appl. Phys. Lett. 93 103309)] and REq [J. B. Wang, W. L. Li, B. Chu, L. L. Chen, G. Zhang, Z. S. Su, Y. R. Chen, D. F. Yang, J. Z. Zhu, S. H. Wu, F. Yan, H. H. Liu, C. S. Lee 2010 Org. Electron. 11 1301] used as an A material. Under 365-nm UV irradiation with an intensity of 1.2 mW/cm2, the m-MTDATA:Beq blend device with a weight ratio of 1:1 shows a response of 192 mA/W with a detectivity of 6.5× 1011 Jones, which exceeds those of PDs based on Mgq (146 mA/W) and Znq (182 mA/W) due to better energy level alignment between m-MTDATA/Beq and lower radiative decay. More photophysics processes of the PDs involved are discussed in detail. Project supported by the National Natural Science Foundation of China (Grant Nos. 61371046, 61405026, 61474016, and 61421002) and China Postdoctoral Science Foundation (Grant No. 2014M552330).

Synthesis, Characterization, and Antibacterial Studies of Mixed Ligand Dioxouranium Complexes with 8-Hydroxyquinoline and Some Amino Acids

Science.gov (United States)

Patil, Sunil S.; Thakur, Ganesh A.; Shaikh, Manzoor M.

2011-01-01

Mixed ligand complexes of dioxouranium (VI) of the type [UO2(Q)(L)·2H2O] have been synthesized using 8-hydroxyquinoline (HQ) as a primary ligand and amino acids (HL) such as L-threonine, L-tryptophan, and L-isoleucine as secondary ligands. The metal complexes have been characterized by elemental analysis, electrical conductance, magnetic susceptibility measurements, and spectral and thermal studies. The electrical conductance studies of the complexes indicate their nonelectrolytic nature. Magnetic susceptibility measurements revealed diamagnetic nature of the complexes. Electronic absorption spectra of the complexes show intraligand and charge transfer transitions, respectively. Bonding of the metal ion through N- and O-donor atoms of the ligands is revealed by IR studies, and the chemical environment of the protons is confirmed by NMR studies. The thermal analysis data of the complexes indicate the presence of coordinated water molecules. The agar cup and tube dilution methods have been used to study the antibacterial activity of the complexes against the pathogenic bacteria S. aureus, C. diphtheriae, S. typhi, and E. coli. PMID:22389843

Investigation of aromatase inhibitory activity of metal complexes of 8-hydroxyquinoline and uracil derivatives

Directory of Open Access Journals (Sweden)

Prachayasittikul V

2014-08-01

Full Text Available Veda Prachayasittikul,1 Ratchanok Pingaew,2 Chanin Nantasenamat,3 Supaluk Prachayasittikul,3 Somsak Ruchirawat,4,5 Virapong Prachayasittikul1 1Department of Clinical Microbiology and Applied Technology, Faculty of Medical Technology, Mahidol University, Bangkok, Thailand; 2Department of Chemistry, Faculty of Science, Srinakharinwirot University, Bangkok, Thailand; 3Center of Data Mining and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, Thailand; 4Laboratory of Medicinal Chemistry, Chulabhorn Research Institute, 5Chulabhorn Graduate Institute, Bangkok, Thailand Purpose: Estrogens play important roles in the pathogenesis and progression of breast cancer as well as estrogen-related diseases. Aromatase is a key enzyme in the rate-limiting step of estrogen production, in which its inhibition is one strategy for controlling estrogen levels to improve prognosis of estrogen-related cancers and diseases. Herein, a series of metal (Mn, Cu, and Ni complexes of 8-hydroxyquinoline (8HQ and uracil derivatives (4–9 were investigated for their aromatase inhibitory and cytotoxic activities. Methods: The aromatase inhibition assay was performed according to a Gentest™ kit using CYP19 enzyme, wherein ketoconazole and letrozole were used as reference drugs. The cytotoxicity was tested on normal embryonic lung cells (MRC-5 using 3-(4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide (MTT assay. Results: Only Cu complexes (6 and 9 exhibited aromatase inhibitory effect with IC50 0.30 and 1.7 µM, respectively. Cytotoxicity test against MRC-5 cells showed that Mn and Cu complexes (5 and 6, as well as free ligand 8HQ, exhibited activity with IC50 range 0.74–6.27 µM. Conclusion: Cu complexes (6 and 9 were found to act as a novel class of aromatase inhibitor. Our findings suggest that these 8HQ–Cu–uracil complexes are promising agents that could be potentially developed as a selective anticancer agent for breast cancer

CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3).

Science.gov (United States)

Kaji, Hironori; Kusaka, Yasunari; Onoyama, Goro; Horii, Fumitaka

2006-04-05

The isomeric states and intermolecular packing of tris(8-hydroxyquinoline) aluminum(III) (Alq(3)) in the alpha-, gamma-, and delta-crystalline forms and in the amorphous state, which are important for understanding the light-emitting and electron-transport properties, have been analyzed by CP/MAS (13)C NMR. This simple NMR experiment shows that the isomeric state of alpha- and amorphous Alq(3) is meridional, whereas that of gamma- and delta-Alq(3) is facial. In the amorphous Alq(3), the inclusion of facial isomers has been under debate. Our experiments show that meridional isomers are dominant in the amorphous Alq(3), although the existence of facial isomers cannot be completely denied. The local structure of amorphous Alq(3) is similar to that of alpha-Alq(3) and is significantly different from those of gamma- and delta-Alq(3). Among these Alq(3) samples, the effect of intermolecular interaction is not found only for gamma-Alq(3). This finding can explain the good solvent solubility of gamma-Alq(3), compared with the other crystalline forms. It is also shown that the structures are locally disordered not only for amorphous Alq(3) but also for alpha-Alq(3), although clear X-ray diffraction peaks are observed for alpha-Alq(3). In contrast, the local structures of gamma- and delta-Alq(3) are well defined. A clear relation is found between the spectral patterns of CP/MAS (13)C NMR and the fluorescence wavelengths; the samples, which consist of facial isomers, show blue-shifted fluorescence compared with those of meridionals.

Tris(8-hydroxyquinoline)aluminum (III) (Alq3) nanowires templated from an eggshell membrane

Energy Technology Data Exchange (ETDEWEB)

Lee, Tu, E-mail: tulee@cc.ncu.edu.t [Department of Chemical and Materials Engineering, National Central University, 300 Jhong-Da Rd, Jhong-Li City 320, Taiwan (China); Chang, Shih Chia; Peng, Jen Fan [Department of Chemical and Materials Engineering, National Central University, 300 Jhong-Da Rd, Jhong-Li City 320, Taiwan (China)

2010-07-30

One to 2-{mu}m long, {<=} 400-nm wide amorphous tris(8-hydroxyquinoline)aluminum (III) (Alq3) nanowires (NWs) grown from the 15-min boiled outer shell membrane (OSM) of the hen's egg and from the OSM solution cast film via thermal evaporation with a source temperature of 260 {sup o}C and a substrate temperature of 138 {sup o}C under 6.7 x 10{sup -2} Pa gave about 1.4 to 1.7 times more photoluminescence emission than the control Alq3 sample did, which was grown from the plain glass surface. The characteristic bonding energies of C 1s X-ray photoelectron signal at 282 eV, O 1s signal at 529 eV and N 1s signal at 397 eV suggested that the relatively high NW density for the 15-min boiled OSM and the OSM solution cast film, was mainly caused by the formation of the O=C-O-C=O anhydride moiety and the C=N group in the proteinaceous OSM at high temperature of 90 {sup o}C to 100 {sup o}C. Therefore, we proposed that the 15-min boiled OSM and the OSM solution cast film apparently served as good templates by providing nano-regions of high concentration of the O=C-O-C=O anhydride groups and the C=N groups for nesting the Alq3 gas molecules to form nano-conical Alq3 nuclei for the growth of long and narrow NWs.

Activated carbon modified with 4-(8-hydroxyquinoline-azo)benzamidine for selective solid-phase extraction and preconcentration of trace lead from environmental samples

International Nuclear Information System (INIS)

Tian, H.; Chang, X.; Hu, Z.; Yang, K.; He, Q.; Zhang, L.; Tu, Z.

2010-01-01

Activated carbon was chemically modified with 4-(8-hydroxyquinoline-azo)benzamidine and used for separation and preconcentration of trace amounts of Pb(II) in environmental samples by solid-phase extraction prior to the measurement by inductively coupled plasma atomic emission spectrometry. The effects of pH, shaking time, eluent concentration and volume, sample flow rate and potential interfering ions were studied. Under the optimum conditions, the enrichment factor was 100, the detection limits is 0. 43 ng mL -1 , and the relative standard deviations are <2. 1% (n = 8). The adsorption capacity of the sorbent is 53. 58 mg of lead(II) per gram of the material. The sorbent was successfully applied to the preconcentration of trace Pb(II) in the reference materials GBW 08301 (river sediment) and GBW 08302 (Tibet soil). The recovery of lead(II) from Yellow river water, Huangshui water, and tap water is in range of 99. 3-101. 6%. (author)

Improved efficiency in organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium doped 9,10-di(2-naphthyl) anthracene emission layer

Energy Technology Data Exchange (ETDEWEB)

Yuan Yongbo; Lian Jiarong; Li Shuang; Zhou Xiang [State Key Lab of Optoelectronic Materials and Technologies, Sun Yat-Sen University, Guangzhou, 510275 (China)], E-mail: stszx@mail.sysu.edu.cn

2008-11-21

Organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium (Alq{sub 3}) doped 9,10-di(2-naphthyl) anthracene (ADN) as the emission layer (EML) have been fabricated. These devices exhibit efficient electroluminescence (EL) originated from the Alq{sub 3} as the mass ratio of Alq{sub 3} to ADN was varied from 1 to 50%. The devices with an optimal Alq{sub 3} mass ratio of 10 wt% showed a peak EL efficiency and an external quantum efficiency of 9.1 cd A{sup -1} and 2.7% at a luminance of 1371 cd m{sup -2}, which is improved by a factor of 2.2 compared with 4.1 cd A{sup -1} and 1.2% at a luminance of 3267 cd m{sup -2} for conventional devices with the neat Alq{sub 3} as the EML.

Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors.

Directory of Open Access Journals (Sweden)

Oliver N F King

2010-11-01

Full Text Available Small molecule modulators of epigenetic processes are currently sought as basic probes for biochemical mechanisms, and as starting points for development of therapeutic agents. N(ε-Methylation of lysine residues on histone tails is one of a number of post-translational modifications that together enable transcriptional regulation. Histone lysine demethylases antagonize the action of histone methyltransferases in a site- and methylation state-specific manner. N(ε-Methyllysine demethylases that use 2-oxoglutarate as co-factor are associated with diverse human diseases, including cancer, inflammation and X-linked mental retardation; they are proposed as targets for the therapeutic modulation of transcription. There are few reports on the identification of templates that are amenable to development as potent inhibitors in vivo and large diverse collections have yet to be exploited for the discovery of demethylase inhibitors.High-throughput screening of a ∼236,000-member collection of diverse molecules arrayed as dilution series was used to identify inhibitors of the JMJD2 (KDM4 family of 2-oxoglutarate-dependent histone demethylases. Initial screening hits were prioritized by a combination of cheminformatics, counterscreening using a coupled assay enzyme, and orthogonal confirmatory detection of inhibition by mass spectrometric assays. Follow-up studies were carried out on one of the series identified, 8-hydroxyquinolines, which were shown by crystallographic analyses to inhibit by binding to the active site Fe(II and to modulate demethylation at the H3K9 locus in a cell-based assay.These studies demonstrate that diverse compound screening can yield novel inhibitors of 2OG dependent histone demethylases and provide starting points for the development of potent and selective agents to interrogate epigenetic regulation.

Improvement of amplified spontaneous emission performance by doping tris(8-hydroxyquinoline) aluminum (Alq3) in dye-doped polymer thin films.

Science.gov (United States)

Lu, Wu; You, Han; Fang, Junfeng; Ma, Dongge

2007-04-20

A well-known red fluorescent dye 4-(dicy-anomethylene)-2-t-butyl-6(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) was codoped with an electron transport organic molecule tris(8-hydroxyquinoline) aluminum (Alq(3)) in a host matrix of polystyrene (PS), and the amplified spontaneous emission (ASE) was studied by optically pumping. It was found that the ASE performance was significantly improved by the introduction of Alq(3). The Alq(3):DCJTB:PS blending thin films showed a low threshold (2.4 microJ/pulse) and a high net gain coefficient (109.95 cm(-1)) compared with the pure DCJTB:PS system (threshold of 15.2 microJ/pulse and gain of 35.94 cm(-1)). The improvement of the ASE performance was considered to be attributable to the effective Föster energy transfer from Alq(3) to DCJTB. Our results demonstrate that the Alq(3):DCJTB could be a promising candidate as gain medium for red organic diode lasers.

Hydroxyquinoline-calix[4]arene-conjugates as ligands for lanthanide complexes. Preparation, characterization, and extraction properties

Energy Technology Data Exchange (ETDEWEB)

Mansel, Alexander [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Reactive Transport; Jaeschke, A.; Kischel, M.; Kersting, B. [Leipzig Univ. (Germany). Inst. fuer Anorganische Chemie

2017-06-01

The synthesis of a calixarene-based N{sub 4}O{sub 4} donor ligand H{sub 6}L, in which two 8-hydroxyquinoline-2-carbaldehyde units are appended via hydrazone-carbonylmethoxy linkages in a 1,3-arrangement to the lower rim of tert-butyl-calix[4]arene and its coordination properties towards Eu{sup 3+} are described. Moreover, the ligand H{sub 6}L was found to extract Eu{sup 3+} and Tb{sup 3+} at pH 7-8 from aqueous solution, as established by radiotracing using the radionuclides {sup 160}Tb and {sup 152} Eu.

Electrochemistry and Spectroelectrochemistry of Bioactive Hydroxyquinolines: A Mechanistic Study

Czech Academy of Sciences Publication Activity Database

Sokolová, Romana; Nycz, J. E.; Ramešová, Šárka; Fiedler, Jan; Degano, I.; Szala, M.; Kolivoška, Viliam; Gál, M.

2015-01-01

Roč. 119, č. 20 (2015), s. 6074-6080 ISSN 1520-6106 Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR M200401201 Program:M Institutional support: RVO:61388955 Keywords : electrochemistry * spectroelectrochemistry * Bioactive Hydroxyquinolines Subject RIV: CG - Electrochemistry Impact factor: 3.187, year: 2015

Cloud point extraction of vanadium in pharmaceutical formulations, dialysate and parenteral solutions using 8-hydroxyquinoline and nonionic surfactant

International Nuclear Information System (INIS)

Khan, Sumaira; Kazi, Tasneem G.; Baig, Jameel A.; Kolachi, Nida F.; Afridi, Hassan I.; Wadhwa, Sham Kumar; Shah, Abdul Q.; Kandhro, Ghulam A.; Shah, Faheem

2010-01-01

A cloud point extraction (CPE) method has been developed for the determination of trace quantity of vanadium ions in pharmaceutical formulations (PF), dialysate (DS) and parenteral solutions (PS). The CPE of vanadium (V) using 8-hydroxyquinoline (oxine) as complexing reagent and mediated by nonionic surfactant (Triton X-114) was investigated. The parameters that affect the extraction efficiency of CPE, such as pH of sample solution, concentration of oxine and Triton X-114, equilibration temperature and time period for shaking were investigated in detail. The validity of CPE of V was checked by standard addition method in real samples. The extracted surfactant-rich phase was diluted with nitric acid in ethanol, prior to subjecting electrothermal atomic absorption spectrometry. Under these conditions, the preconcentration of 50 mL sample solutions, allowed raising an enrichment factor of 125-fold. The lower limit of detection obtained under the optimal conditions was 42 ng/L. The proposed method has been successfully applied to the determination of trace quantity of V in various pharmaceutical preparations with satisfactory results. The concentration ranges of V in PF, DS and PS samples were found in the range of 10.5-15.2, 0.65-1.32 and 1.76-6.93 μg/L, respectively.

Paramagnetic relaxation enhancement of membrane proteins by incorporation of the metal-chelating unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid (HQA)

Energy Technology Data Exchange (ETDEWEB)

Park, Sang Ho; Wang, Vivian S.; Radoicic, Jasmina; Angelis, Anna A. De; Berkamp, Sabrina; Opella, Stanley J., E-mail: sopella@ucsd.edu [University of California, San Diego, Department of Chemistry and Biochemistry (United States)

2015-04-15

The use of paramagnetic constraints in protein NMR is an active area of research because of the benefits of long-range distance measurements (>10 Å). One of the main issues in successful execution is the incorporation of a paramagnetic metal ion into diamagnetic proteins. The most common metal ion tags are relatively long aliphatic chains attached to the side chain of a selected cysteine residue with a chelating group at the end where it can undergo substantial internal motions, decreasing the accuracy of the method. An attractive alternative approach is to incorporate an unnatural amino acid that binds metal ions at a specific site on the protein using the methods of molecular biology. Here we describe the successful incorporation of the unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid (HQA) into two different membrane proteins by heterologous expression in E. coli. Fluorescence and NMR experiments demonstrate complete replacement of the natural amino acid with HQA and stable metal chelation by the mutated proteins. Evidence of site-specific intra- and inter-molecular PREs by NMR in micelle solutions sets the stage for the use of HQA incorporation in solid-state NMR structure determinations of membrane proteins in phospholipid bilayers.

Synthesis and physical-chemical properties of 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R-2,4-dihydro-3H-1,2,4-triazoles

Directory of Open Access Journals (Sweden)

T. M. Kaplaushenko

2016-06-01

Full Text Available The major social and economic problem of pharmaceutical industry is the search for biologically active substances, which may become the basis of new drugs, competitive with expensive imported drugs. Analysis of literature shows that in recent decades the attention is paid to researches of heterocyclic systems as potential biologically active agents of both domestic and foreign scientists. Particular interest in this regard cause 3-thio derivatives of 1,2,4-triazoles. Despite high number of publications relating to synthesis and biological properties of 1,2,4-triazole derivatives, the structure and physical-chemical properties of these compounds are studied insufficiently. In this regard, the study of synthetic, physical-chemical and biological properties of 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R1-2,4-dihydro-3H-1,2,4-triazoles in our point of view is a new, theoretically and practically significant direction. Purpose - targeted synthesis of new low-toxic and highly effective compounds with potential pharmacological activity in a series of 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R-2,4-dihydro-3H-1,2,4-triazoles and the study of physical and chemical properties of the synthesized compounds. Materials and methods. As starting compounds 5-(quinoline-2-il- 2-hydroxyquinoline-4-yl-4-R1-3-thio-1,2,4-triazoles have been used. Through further cooperation with halogen alkanes (ethyl bromide, propyl bromide, amyl bromide, octyl bromide, nonyl bromide, decyl bromide, cyclohexyl chloride, benzyl chloride 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R1-2,4-dyhidro-3H-1,2,4-triazoles have been obtained. Results. 15 New compounds have been received as a result of synthetic transformations, the structure of synthesized compounds has been confirmed by modern complex of physical and chemical methods of analysis (IR-spectrophotometry, 1H NMR-spectroscopy, elemental analysis, and their individuality has been proved by

U(VI) extraction by 8-hydroxyquinoline. A comparison study in ionic liquid and in dichloromethane

Energy Technology Data Exchange (ETDEWEB)

Yuan, Li-Yong; Shi, Wei-Qun [Chinese Academy of Sciences, Beijing (China). Lab. of Nuclear Energy Chemistry; Liao, Xiang-Hong [Chinese Academy of Sciences, Beijing (China). Lab. of Nuclear Energy Chemistry; East China Institute of Technology, Nanchang (China). School of Nuclear Engineering and Geophysics; Liu, Zhi-Rong [East China Institute of Technology, Nanchang (China). School of Nuclear Engineering and Geophysics; Chai, Zhi-Fang [Chinese Academy of Sciences, Beijing (China). Lab. of Nuclear Energy Chemistry; Soochow Univ., Suzhou (China). School of Radiological and Interdisciplinary Sciences and Collaborative Innovation Center of Radiation Medicine

2017-08-01

Room temperature ionic liquids (RTILs) represent a recent new class of solvents with potential application in liquid/liquid extraction based nuclear fuel reprocessing due to their unique physical and chemical properties. The work herein provides a comparison of U(VI) extraction by 8-hydroxyquinoline (HOX) in a commonly used RTIL, i.e. 1-butyl-3-methylimidazolium hexafluorophosphate ([C{sub 4}mim][PF{sub 6}]) and in conventional solvent, i.e. dichloromethane (CH{sub 2}Cl{sub 2}). The effect of HOX concentration, solution acidity and nitrate ions on the extraction were discussed in detail, and the speciation analyses of the extracted U(VI) were performed. One of the main emphasis of this work is the extraction mechanism of U(VI) extracted from aqueous phase into RTILs and conventional solvent. In CH{sub 2}Cl{sub 2}, the extraction occurs through a combination of ion change and neutral complexation, and the extracted complex is proposed as UO{sub 2}(OX){sub 2}HOX. In [C{sub 4}mim][PF{sub 6}], although a cation-change mechanism as previously reported for RTILs-based system was involved, the extracted complex of UO{sub 2}(OX){sub 1.5}(HOX){sub 1.5}(PF6){sub 0.5} gave a clear indication that the usage of HOX as an acidic extractant markedly inhibited the solubility loss of [C{sub 4}mim][PF{sub 6}] during the extraction by leaching H{sup +} to aqueous phase. Moreover, the extracted U(VI) in [C{sub 4}mim][PF{sub 6}] can be easily stripped by using 0.01 M nitric acid, which provides a simple way of the ionic liquid recycling.

8-Hydroxyquinoline inhibits iNOS expression and nitric oxide production by down-regulating LPS-induced activity of NF-κB and C/EBPβ in Raw 264.7 cells

International Nuclear Information System (INIS)

Kim, Young-Ho; Woo, Kyung Jin; Lim, Jun Hee; Kim, Shin; Lee, Tae Jin; Jung, Eun Mi; Lee, Jin-Man; Park, Jong-Wook; Kwon, Taeg Kyu

2005-01-01

In activated macrophage, large amounts of nitric oxide (NO) are generated by inducible nitric oxide synthase (iNOS), resulting in acute or chronic inflammatory disorders. In Raw 264.7 cells stimulated with lipopolysaccharide (LPS) to mimic inflammation, 8-hydroxyquinoline (8HQ) inhibited the LPS-induced expression of both iNOS protein and mRNA in a parallel dose-dependent manner. 8HQ did not enhance the degradation of iNOS mRNA. To investigate the mechanism by which 8HQ inhibits iNOS gene expression, we examined the activation of MAP kinases in Raw 264.7 cells. We did not observe any significant change in the phosphorylation of MAPKs between LPS alone and LPS plus 8HQ-treated cells. Moreover, 8HQ significantly inhibited the DNA-binding activity of nuclear factor-κB (NF-κB) and CCAAT/enhancer-binding protein β (C/EBPβ), but not activator protein-1 and cAMP response element-binding protein. Taken together, these results suggest that 8HQ acts to inhibit inflammation through inhibition of NO production and iNOS expression through blockade of C/EBPβ DNA-binding activity and NF-κB activation

Combined optical gain and degradation measurements in DCM2 doped Tris-(8-hydroxyquinoline)aluminum thin-films

Science.gov (United States)

Čehovski, Marko; Döring, Sebastian; Rabe, Torsten; Caspary, Reinhard; Kowalsky, Wolfgang

2016-04-01

Organic laser sources offer the opportunity to integrate flexible and widely tunable lasers in polymer waveguide circuits, e.g. for Lab-on-Foil applications. Therefore, it is necessary to understand gain and degradation processes for long-term operation. In this paper we address the challenge of life-time (degradation) measurements of photoluminescence (PL) and optical gain in thin-film lasers. The well known guest-host system of aluminum-chelate Alq3 (Tris-(8-hydroxyquinoline)aluminum) as host material and the laser dye DCM2 (4-(Dicyanomethylene)-2- methyl-6-julolidyl-9-enyl-4H-pyran) as guest material is employed as laser active material. Sample layers have been built up by co-evaporation in an ultrahigh (UHV) vacuum chamber. 200nm thick films of Alq3:DCM2 with different doping concentrations have been processed onto glass and thermally oxidized silicon substrates. The gain measurements have been performed by the variable stripe length (VSL) method. This measurement technique allows to determine the thin-film waveguide gain and loss, respectively. For the measurements the samples were excited with UV irradiation (ƛ = 355nm) under nitrogen atmosphere by a passively Q-switched laser source. PL degradation measurements with regard to the optical gain have been done at laser threshold (approximately 3 μJ/cm2), five times above laser threshold and 10 times above laser threshold. A t50-PL lifetime of > 107 pulses could be measured at a maximum excitation energy density of 32 μJ/cm2. This allows for a detailed analysis of the gain degradation mechanism and therefore of the stimulated cross section. Depending on the DCM2 doping concentration C the stimulated cross section was reduced by 35 %. Nevertheless, the results emphasizes the necessity of the investigation of degradation processes in organic laser sources for long-term applications.

8-Hydroxy-2-methylquinolinium tetrachlorido(pyridine-2-carboxylato-κ2N,Ostannate(IV

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Ezzatollah Najafi

2011-02-01

Full Text Available In the reaction of pyridine-2-carboxylic acid and stannic chloride in the presence of 2-methyl-8-hydroxyquinoline, the 2-methyl-8-hydroxyquinoline is protonated, yielding the title salt, (C10H10NO[SnCl4(C6H4NO2]. The SnIV atom in the anion is N,O-chelated by a pyridine-2-carboxylate in a cis-SnNOCl4 octahedral geometry. The cation is linked to the anion by an O—H...O hydrogen bond.

Design, synthesis and characterization of a highly luminescent Eu-complex monomer featuring thenoyltrifluoroacetone and 5-acryloxyethoxymethyl-8-hydroxyquinoline

Energy Technology Data Exchange (ETDEWEB)

Xu Cunjin [State Key Laboratory of Chemical Engineering, Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027 (China); College of Material, Chemistry and Chemical Engineering, Hangzhou Normal University, Hangzhou 310036 (China); Li Bogeng, E-mail: bgli@zju.edu.cn [State Key Laboratory of Chemical Engineering, Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027 (China); Wan Jintao; Bu Zhiyang [State Key Laboratory of Chemical Engineering, Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027 (China)

2011-08-15

A multi-functional ligand, 5-acryloxyethoxymethyl-8-hydroxyquinoline (Hamq), was synthesized, which contained a polymerizable C=C double bond for the copolymerization with other vinyl monomers and acted as photon antenna able to transfer energy to Eu{sup 3+} ions effectively. The triplet state energy of Hamq was determined to be 22,370 cm{sup -1} via the phosphorescence spectra of Hamq and its gadolinium complex. The title complex monomer Eu(tta){sub 2}(amq) was prepared by coordination reaction of Hamq with europium isopropoxide and 2-thenoyltrifluoroacetone (Htta) in dry organic solvents under argon atmosphere and characterized by elemental analysis and IR spectrum. The photophysical properties of the complex were studied in detail with UV-vis, luminescence spectra, luminescence lifetime and quantum yield. The complex exhibited nearly monochromatic red emission at 612 nm, a remarkable luminescence quantum yield at room temperature (30.6%) upon ligand excitation and a long {sup 5}D{sub 0} lifetime (389 {mu}s), which indicated that the ligand Hamq could sensitize the luminescence of Eu(III) ion efficiently in Eu(tta){sub 2}(amq), resulting in a strong luminescence of its copolymer poly[MMA-co-Eu(TTA){sub 2}(amq)] under UV excitation. The excellent luminescence properties of the complex made it not only a promising light-conversion molecular device but also an excellent luminescent monomer. - Highlights: >iWe designed and synthesized a highly luminescent Eu-complex monomer. > Quantum yield and lifetime of the complex are 30.6% and 389 {mu}s, respectively. > Excellent luminescence of the complex made it an excellent luminescent monomer.

An effective in vitro and in vivo antileishmanial activity and mechanism of action of 8-hydroxyquinoline against Leishmania species causing visceral and tegumentary leishmaniasis.

Science.gov (United States)

Costa Duarte, Mariana; dos Reis Lage, Letícia Martins; Lage, Daniela Pagliara; Mesquita, Juliana Tonini; Salles, Beatriz Cristina Silveira; Lavorato, Stefânia Neiva; Menezes-Souza, Daniel; Roatt, Bruno Mendes; Alves, Ricardo José; Tavares, Carlos Alberto Pereira; Tempone, André Gustavo; Coelho, Eduardo Antonio Ferraz

2016-02-15

The development of new therapeutic strategies to treat leishmaniasis has become a priority. In the present study, the antileishmanial activity of 8-hydroxyquinoline (8-HQN) was investigated against in vitro promastigotes and in vivo intra-macrophage amastigotes of three Leishmania species: Leishmania amazonensis, Leishmania infantum and Leishmania braziliensis. Studies were performed to establish the 50% Leishmania inhibitory concentration (IC50) of 8-HQN, as well as its 50% cytotoxic concentration (CC50) on murine macrophages and in human red blood cells. The inhibition of macrophages infection was also evaluated using parasites that were pre-treated with 8-HQN. The effects of this compound on nitric oxide (NO) production and in the mitochondrial membrane potential were also evaluated. Finally, the therapeutic efficacy of 8-HQN was assessed in a known murine model, L. amazonensis-chronically infected BALB/c mice. Our results showed that 8-HQN was effective against promastigote and amastigote stages of all tested Leishmania species, presenting a selectivity index of 328.0, 62.0 and 47.0 for L. amazonensis, L. infantum and L. braziliensis, respectively. It was effective in treating infected macrophages, as well as in preventing the infection of these cells using pre-treated parasites. In addition, 8-HQN caused an alteration in the mitochondrial membrane potential of the parasites. When administered at 10mg/kg body weight/day by subcutaneous route, this product was effective in reducing the lesion diameter, as well as the parasite load in evaluated tissues and organs of infected animals. The results showed the in vitro and in vivo efficacy of 8-HQN against three different Leishmania species causing tegumentary and/or visceral leishmaniasis, and it could well be used for future therapeutic optimization studies to treat leishmaniasis. Copyright © 2016 Elsevier B.V. All rights reserved.

Flame atomic absorption spectrometric determination of heavy metals in aqueous solution and surface water preceded by co-precipitation procedure with copper(II) 8-hydroxyquinoline

Science.gov (United States)

Ipeaiyeda, Ayodele Rotimi; Ayoade, Abisayo Ruth

2017-12-01

Co-precipitation procedure has widely been employed for preconcentration and separation of metal ions from the matrices of environmental samples. This is simply due to its simplicity, low consumption of separating solvent and short duration for analysis. Various organic ligands have been used for this purpose. However, there is dearth of information on the application of 8-hydroxyquinoline (8-HQ) as ligand and Cu(II) as carrier element. The use of Cu(II) is desirable because there is no contamination and background adsorption interference. Therefore, the objective of this study was to use 8-HQ in the presence of Cu(II) for coprecipitation of Cd(II), Co(II), Cr(III), Ni(II) and Pb(II) from standard solutions and surface water prior to their determinations by flame atomic absorption spectrometry (FAAS). The effects of pH, sample volume, amount of 8-HQ and Cu(II) and interfering ions on the recoveries of metal ions from standard solutions were monitored using FAAS. The water samples were treated with 8-HQ under the optimum experimental conditions and metal concentrations were determined by FAAS. The metal concentrations in water samples not treated with 8-HQ were also determined. The optimum recovery values for metal ions were higher than 85.0%. The concentrations (mg/L) of Co(II), Ni(II), Cr(III), and Pb(II) in water samples treated with 8-HQ were 0.014 ± 0.002, 0.03 ± 0.01, 0.04 ± 0.02 and 0.05 ± 0.02, respectively. These concentrations and those obtained without coprecipitation technique were significantly different. Coprecipitation procedure using 8-HQ as ligand and Cu(II) as carrier element enhanced the preconcentration and separation of metal ions from the matrix of water sample.

Modulating the single-molecule magnet behaviour in phenoxo-O bridged Dy2 systems via subtle structural variations

Science.gov (United States)

Wang, Wen-Min; Zhao, Xiao-Yu; Qiao, Hui; Bai, Li; Han, Hong-Fei; Fang, Ming; Wu, Zhi-Lei; Zou, Ji-Yong

2017-09-01

In search of simple approaches to rationally modulate the single-molecule magnet behaviour in polynuclear lanthanide compound, a new system containing two structurally closely related dinuclear dysprosium complexes, namely [Dy2(hfac)4L2] (1) and [Dy2(hfac)4L‧2] (2) (hfac = hexafluoroacetylacetonate, HL = 2-[4-methylaniline-imino]methyl]-8-hydroxyquinoline and HL' = 2-[(3,4-dimethylaniline)-imino]methyl]-8-hydroxyquinoline), are successfully synthesized and the structure-dependent magnetic properties are investigated. The two Dy2 compounds display only slight variations in the coordination geometries of the center Dy(III) ion but display remarkably different single-molecule magnet behaviors with the anisotropic barriers (ΔE/kB) of 9.91 K for 1 and 20.57 K for 2. The different magnetic relaxation behaviors of the two Dy2 complexes mainly originate from the different chemical environments of the central DyIII ions.

Detection of charge storage on molecular thin films of tris(8-hydroxyquinoline) aluminum (Alq3) by Kelvin force microscopy: a candidate system for high storage capacity memory cells.

Science.gov (United States)

Paydavosi, Sarah; Aidala, Katherine E; Brown, Patrick R; Hashemi, Pouya; Supran, Geoffrey J; Osedach, Timothy P; Hoyt, Judy L; Bulović, Vladimir

2012-03-14

Retention and diffusion of charge in tris(8-hydroxyquinoline) aluminum (Alq(3)) molecular thin films are investigated by injecting electrons and holes via a biased conductive atomic force microscopy tip into the Alq(3) films. After the charge injection, Kelvin force microscopy measurements reveal minimal changes with time in the spatial extent of the trapped charge domains within Alq(3) films, even for high hole and electron densities of >10(12) cm(-2). We show that this finding is consistent with the very low mobility of charge carriers in Alq(3) thin films (<10(-7) cm(2)/(Vs)) and that it can benefit from the use of Alq(3) films as nanosegmented floating gates in flash memory cells. Memory capacitors using Alq(3) molecules as the floating gate are fabricated and measured, showing durability over more than 10(4) program/erase cycles and the hysteresis window of up to 7.8 V, corresponding to stored charge densities as high as 5.4 × 10(13) cm(-2). These results demonstrate the potential for use of molecular films in high storage capacity nonvolatile memory cells. © 2012 American Chemical Society

Thermochemical analysis on rare earth complex of gadolinium with salicylic acid and 8-hydroxyquinoline

Energy Technology Data Exchange (ETDEWEB)

Xiao, Sheng-Xiong, E-mail: 54xsx@163.com [Hunan Provincial Key Laboratory of Rare-Precious Metals Compounds and Applications, Department of Chemistry and Life Science, Xiangnan University, Chenzhou 423000, Hunan Province (China); Li, Ai-Tao; Jiang, Jian-Hong; Huang, Shuang; Xu, Xiao-Yan; Li, Qiang-Guo [Hunan Provincial Key Laboratory of Rare-Precious Metals Compounds and Applications, Department of Chemistry and Life Science, Xiangnan University, Chenzhou 423000, Hunan Province (China)

2012-11-20

Highlights: Black-Right-Pointing-Pointer A new novel rare earth complex Gd(C{sub 7}H{sub 5}O{sub 3}){sub 2}{center_dot}(C{sub 9}H{sub 6}NO) was synthesized and characterized. Black-Right-Pointing-Pointer The dissolution enthalpies of the relevant substances were determined. Black-Right-Pointing-Pointer The enthalpy change of the reaction was determined to be (211.54 {+-} 0.69) kJ mol{sup -1}. Black-Right-Pointing-Pointer The standard molar enthalpy of formation of complex was -(1890.7 {+-} 3.1) kJ mol{sup -1}. - Abstract: The rare earth complex, Gd(C{sub 7}H{sub 5}O{sub 3}){sub 2}{center_dot}(C{sub 9}H{sub 6}NO), was synthesized by the reaction of Gadolinium nitrate hexahydrate with salicylic acid (C{sub 7}H{sub 6}O{sub 3}) and 8-hydroxyquinoline (C{sub 9}H{sub 7}NO). And it was characterized by elemental analysis, UV spectra, IR spectra, molar conductance and thermogravimetric analysis. In a optimalizing calorimetric solvent, the dissolution enthalpies were determined by an advanced solution-reaction isoperibol microcalorimeter, respectively: {Delta}{sub s}H{sub m}{sup {Theta}} [2 C{sub 7}H{sub 6}O{sub 3}(s) + C{sub 9}H{sub 7}NO(s), 298.15 K] = 41.95 {+-} 0.44 kJ mol{sup -1}, {Delta}{sub s}H{sub m}{sup {Theta}} [Gd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O(s), 298.15 K] = -29.11 {+-} 0.39 kJ mol{sup -1}, {Delta}{sub s}H{sub m}{sup {Theta}} [Gd(C{sub 7}H{sub 5}O{sub 3}){sub 2}{center_dot}(C{sub 9}H{sub 6}NO)(s), 298.15 K] = -46.99 {+-} 0.39 kJ mol{sup -1} and {Delta}{sub s}H{sub m}{sup {Theta}} [Solution D(aq), 298.15 K] = -90.33 {+-} 0.37 kJ mol{sup -1}. The enthalpy change of the synthesized reaction was estimated to be {Delta}{sub r}H{sub m}{sup {Theta}}=211.54{+-}0.69 kJ mol{sup -1}. From data in the literature, through Hess' law, the standard molar enthalpy of formation of Gd(C{sub 7}H{sub 5}O{sub 3}){sub 2}{center_dot}(C{sub 9}H{sub 7}NO)(s) was calculated to be {Delta}{sub f}H{sub m}{sup {Theta}} [Gd(C{sub 7}H{sub 5}O{sub 3}){sub 2}{center_dot}(C{sub 9}H

Theoretical investigations of the structures and electronic spectra of 8-hydroxylquinoline derivatives

Science.gov (United States)

Ning, Pan; Ren, Tiegang; Zhang, Yanxin; Zhang, Jinglai

2013-11-01

The spectroscopic properties of 8-hydroxyquinoline derivatives are theoretically investigated by means of density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. The target molecules are divided into two groups: group (I): (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol (A), together with corresponding potential reaction products of A with acetic acid, i.e., (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)quinolin-8-yl acetate (AR1), and (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)-8-hydroxyquinolinium (AR2); group (II): (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol (B), as well as potential reaction products of B with acetic acid, i.e., (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)quinolin-8-yl acetate (BR1), and (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)-8-hydroxyquinolinium (BR2). The geometries are optimized by B3LYP and M06 methods. The results indicate that product molecules tend to be effectively planar compared with reactants. Subsequently, UV absorption spectra are simulated through TD-DFT method with PCM model to further confirm the reasonable products of two reactions. AR2 and BR2 are identified as the target molecules through the experimental spectra for the real products. It is worth noting that the maximum absorption wavelengths of compounds AR2 and BR2 present prominent red shift compared the initial reactants A and B, respectively, which should be ascribed to the enhancive planarity of products that mentioned above and the decreased HOMO-LUMO energy gap. Geometric structures and optical properties for corresponding compounds are discussed in detail.

Extraction spectrophotometric determination of elements in form of ion-association compounds of metal chaltes and dyes. Pt. 2. The system cobalt-5, 7-dichloro-8-hydroxyquinoline-rhodamine 6G, benzene

International Nuclear Information System (INIS)

Minczewski, J.; Chwastowska, J.; Lachowicz, E.

1976-01-01

The extraction of the ion-pair formed by the anionic, coordinatively saturated complex of cobalt with 5,7-dichloro-8-hydroxyquinoline (Cl 2 HOx) and Rhodamine 6G cation (ROD + ) was investigated. The cobalt ions at the concentration 4 x 10 -5 M are fully extractable at pH=6.3; 1 x 10 -3 M Cl 2 HOx and 4 x 10 -4 M Rhodamine 6G after 10 minutes of extraction. In absence of Rhodamine 6G the cobalt complexes are not extractable. The extractable ion-pair has the composition according to the formula Co(Cl 2 Ox) 3 - .ROD + . The molar absorptivity at lambda=542 nm is equal to 7.5 x 10 4 . The extraction constant log Ksub(ex)=0.44+-0.14. The protonation constant of Rhodamine (log K=-0.98+-0.08) and two-phase stability constant of the carbinol base of Rhodamine 6G (log β = 5.35. +- 0.04) were also calculated. (author)

Structure of Co-Doped Alq3 thin films investigated by grazing incidence X-ray absorption fine structure and Fourier transform infrared spectroscopy.

Science.gov (United States)

Lin, Liang; Pang, Zhiyong; Fang, Shaojie; Wang, Fenggong; Song, Shumei; Huang, Yuying; Wei, Xiangjun; Yu, Haisheng; Han, Shenghao

2011-02-10

The structural properties of Co-doped tris(8-hydroxyquinoline)aluminum (Alq(3)) have been studied by grazing incidence X-ray absorption fine structure (GIXAFS) and Fourier transform infrared spectroscopy (FTIR). GIXAFS analysis suggests that there are multivalent Co-Alq(3) complexes and the doped Co atoms tend to locate at the attraction center with respect to N and O atoms and bond with them. The FTIR spectra indicate that the Co atoms interact with the meridional (mer) isomer of Alq(3) rather than forming inorganic compounds.

Improved outcoupling of light in organic light emitting devices, utilizing a holographic DFB-structure

Energy Technology Data Exchange (ETDEWEB)

Reinke, Nils [Organische Funktionsmaterialien, University of Duisburg-Essen (Germany)]. E-mail: nils.reinke@physik.uni-augsburg.de; Fuhrmann, Thomas [Macromolecular Chemistry and Molecular Materials, University of Kassel (Germany); Perschke, Alexandra [Organische Funktionsmaterialien, University of Duisburg-Essen (Germany); Franke, Hilmar [Organische Funktionsmaterialien, University of Duisburg-Essen (Germany)

2004-12-10

In this work organic light emitting devices (OLEDs) were fabricated implementing gratings, in order to extract waveguided electroluminescence (EL). The gratings were recorded by exposing thin films of the molecular azo glass N, N'-bis (4-phenyl)-N, N'-bis [(4-phenylazo)-phenyl] benzidine (AZOPD) to holographic light patterns. The photopatterned AZOPD serves as hole transport material for devices with aluminum-tris(8-hydroxyquinoline) doped with 1% of 4-(dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran (Alq{sub 3}:DCM) as emissive/electron transport layer. The corrugated devices showed enhanced emission in the forward direction. The emitted light is polarized preferably parallel to the grating lines. In addition, we have found a doubling in the total luminance with respect to the unstructured device.

Synthesis and characterization of new 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives

Directory of Open Access Journals (Sweden)

S. Sarveswari

2016-09-01

Full Text Available The 4-hydroxy-3-(3-arylacryloylquinolin-2(1H-ones were synthesized from 3-acetyl-4-hydroxyquinolin-2(1H-one by microwave assisted synthesis, which in turn converted into their corresponding 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives.

The causal structure of utility conditionals.

Science.gov (United States)

Bonnefon, Jean-François; Sloman, Steven A

2013-01-01

The psychology of reasoning is increasingly considering agents' values and preferences, achieving greater integration with judgment and decision making, social cognition, and moral reasoning. Some of this research investigates utility conditionals, ''if p then q'' statements where the realization of p or q or both is valued by some agents. Various approaches to utility conditionals share the assumption that reasoners make inferences from utility conditionals based on the comparison between the utility of p and the expected utility of q. This article introduces a new parameter in this analysis, the underlying causal structure of the conditional. Four experiments showed that causal structure moderated utility-informed conditional reasoning. These inferences were strongly invited when the underlying structure of the conditional was causal, and significantly less so when the underlying structure of the conditional was diagnostic. This asymmetry was only observed for conditionals in which the utility of q was clear, and disappeared when the utility of q was unclear. Thus, an adequate account of utility-informed inferences conditional reasoning requires three components: utility, probability, and causal structure. Copyright © 2012 Cognitive Science Society, Inc.

Effect of thermal annealing on the structural and optical properties of tris-(8-hydroxyquinoline)aluminum(III) (Alq3 ) films.

Science.gov (United States)

Cuba, M; Muralidharan, G

2015-05-01

Tris-(8-hydroxyquionoline)aluminum (Alq3 ) was synthesized and coated on to a glass substrate using the dip coating method. The structural and optical properties of the Alq3 film after thermal annealing from 50°C to 300°C in 50° steps was studied. The films have been prepared with 2 to 16 layers (42-324 nm). The thickness and thermal annealing of Alq3 films were optimized for maximum luminescence yield. The Fourier transform infrared spectrum confirms the formation of quinoline with absorption in the region 700 - 500/cm. Partial sublimation and decomposition of quinoline ion was observed with the Alq3 films annealed at 300°C. The X-ray diffraction pattern of the Alq3 film annealed at 50°C to 150°C reveals the amorphous nature of the films. The Alq3 film annealed above 150°C were crystalline nature. Film annealed at 150°C exhibits a photoluminescence intensity maximum at 512 nm when excited at 390 nm. The Alq3 thin film deposited with 10 layers (220 nm) at 150°C exhibited maximum luminescence yield. Copyright © 2014 John Wiley & Sons, Ltd.

Utilization of Pebax 1657 as structure directing agent in fabrication of ultra-porous ZIF-8

Energy Technology Data Exchange (ETDEWEB)

Jomekian, A. [Gas Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Post Office Box 63431, Ahvaz (Iran, Islamic Republic of); Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran (Iran, Islamic Republic of); Behbahani, R.M., E-mail: behbahani@put.ac.ir [Gas Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Post Office Box 63431, Ahvaz (Iran, Islamic Republic of); Mohammadi, T. [Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran (Iran, Islamic Republic of); Kargari, A. [Department of Petrochemical Engineering, Amirkabir University of Technology (AUT), Mahshahr (Iran, Islamic Republic of)

2016-03-15

Ultra porous ZIF-8 particles synthesized using PEO/PA6 based poly(ether-block-amide) (Pebax 1657) as structure directing agent. Structural properties of ZIF-8 samples prepared under different synthesis parameters were investigated by laser particle size analysis, XRD, N{sub 2} adsorption analysis, BJH and BET tests. The overall results showed that: (1) The mean pore size of all ZIF-8 samples increased remarkably (from 0.34 nm to 1.1–2.5 nm) compared to conventionally synthesized ZIF-8 samples. (2) Exceptional BET surface area of 1869 m{sup 2}/g was obtained for a ZIF-8 sample with mean pore size of 2.5 nm. (3) Applying high concentrations of Pebax 1657 to the synthesis solution lead to higher surface area, larger pore size and smaller particle size for ZIF-8 samples. (4) Both, Increase in temperature and decrease in molar ratio of MeIM/Zn{sup 2+} had increasing effect on ZIF-8 particle size, pore size, pore volume, crystallinity and BET surface area of all investigated samples. - Highlights: • The pore size of ZIF-8 samples synthesized with Pebax 1657 increased remarkably. • The BET surface area of 1869 m{sup 2}/gr obtained for a ZIF-8 synthesized sample with Pebax. • Increase in temperature had increasing effect on textural properties of ZIF-8 samples. • Decrease in MeIM/Zn{sup 2+} had increasing effect on textural properties of ZIF-8 samples.

Effect of a thin layer of tris (8-hydroxyquinoline) aluminum doped with 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl) on the chromaticity of white organic light-emitting devices

International Nuclear Information System (INIS)

Cheng Gang; Zhao Yi; Li Feng; Xie Wenfa; Liu Shiyong

2004-01-01

Efficient white organic light-emitting devices (OLEDs) are demonstrated by inserting a thin layer of tris (8-hydroxyquinoline) aluminum (Alq) doped with 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl) (DCJTB) into N,N'-diphenyl-N,N'-bis(1-naphthyl)-(1,1'-biphenyl)-4,4'-diamine (NPB) layer. Alq without doping is used as an electron-transporting layer and 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (bathocuproine or BCP) as an exciton-blocking layer. NPB layers are separated by the doped Alq layer, the layer that sandwiched between BCP and doped Alq layers acts as a blue-emitting layer, and the other as a hole-transporting layer. The doped Alq layer acts as a red and green-emitting as well as chromaticity-tuning layer, whose thickness and position as well as the concentration of DCJTB in Alq permit the tuning of the device spectrum to achieve a balanced white emission with Commission Internationale De L'Eclairage (CIE) coordinates of (0.33, 0.33). The device has a maximum luminance of 6745 cd/m 2 , a maximum external efficiency of 1.36 %, corresponding to 2.56 cd/A

Self-assembled systems of water soluble metal 8-hydroxyquinolates with surfactants and conjugated polyelectrolytes

DEFF Research Database (Denmark)

Burrows, Hugh D.; Costa, Telma; Luisa Ramos, M.

2016-01-01

We have studied the interaction of 8-hydroxyquinoline-5-sulfonate (8-HQS) with the metal ions Al(III) and Zn(II) in aqueous solution in the presence of tetraalkylammonium surfactants using UV/vis absorption, fluorescence, NMR spectroscopy and electrical conductivity measurements, complemented by ...... assembly between the conjugated polyelectrolyte and the metal/8-HQS complex, as demonstrated by electronic energy transfer. The potential of these systems in sensing, light harvesting, and electron injection/transport layers in organic semiconductor devices is discussed....

Role of Interfacial Properties of 4-hydroxyquinoline and / or Some Crown Ethers in the Mechanism of Extraction Process

International Nuclear Information System (INIS)

Daoud, J.A.; El-Dessouky, S.I.

2000-01-01

The interfacial properties of 8-hydroxyquinoline (HOX) and /or some crown ethers; Db 18 C6, 18 C6 and 15 C5 at the chloroform/ nitrate interface were investigated by measuring their interfacial tension using Du Nouy ring method. The data indicate that 18 C6 and 15 C5 have variable effects on the chloroform-nitrate interface according to their concentrations while Db 18 C6 and HOX have nearly no effect at the interface in the investigated concentration range. The mixture of HOX and 18 C6 or 15 C5 showed different trends according to their concentrations. The proposed mechanisms were verified by carrying out Co(II) extraction by HOX-Db 18 C6 mixture in chloroform in the low and high concentration ranges at different interfacial area. The use of benzene instead of chloroform indicate that the nature of diluent has a marked effect on the interfacial properties of 18 C6 and 15 C5 while Db 18 C6 was found to be sparingly soluble in benzene in the investigated concentration range

Effect of a thin layer of tris (8-hydroxyquinoline) aluminum doped with 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl) on the chromaticity of white organic light-emitting devices

Energy Technology Data Exchange (ETDEWEB)

Cheng Gang; Zhao Yi; Li Feng; Xie Wenfa; Liu Shiyong

2004-11-22

Efficient white organic light-emitting devices (OLEDs) are demonstrated by inserting a thin layer of tris (8-hydroxyquinoline) aluminum (Alq) doped with 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl) (DCJTB) into N,N'-diphenyl-N,N'-bis(1-naphthyl)-(1,1'-biphenyl)-4,4'-diamine (NPB) layer. Alq without doping is used as an electron-transporting layer and 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (bathocuproine or BCP) as an exciton-blocking layer. NPB layers are separated by the doped Alq layer, the layer that sandwiched between BCP and doped Alq layers acts as a blue-emitting layer, and the other as a hole-transporting layer. The doped Alq layer acts as a red and green-emitting as well as chromaticity-tuning layer, whose thickness and position as well as the concentration of DCJTB in Alq permit the tuning of the device spectrum to achieve a balanced white emission with Commission Internationale De L'Eclairage (CIE) coordinates of (0.33, 0.33). The device has a maximum luminance of 6745 cd/m{sup 2}, a maximum external efficiency of 1.36 %, corresponding to 2.56 cd/A.

Spectral and time-resolved properties of photoinduced hydroxyquinolines doped thin polymer films

Science.gov (United States)

Mehata, Mohan Singh

2018-01-01

Quinoline and its derivatives have a wide range of biological and pharmacological activities. Quinoline ring is used to design functional materials (quinoline derivatives) for OLEDs and field-induce electrooptics. It possesses antibacterial, antifungal, antimalarial, cardiotonic, anthelmintic, anti-inflammatory, anticonvulsant and analgesic activity. Here, we have examined photoexcitation dynamics of 6-hydroxyquinoline (6-HQ) doped in polymer films of polymethyl methacrylate (PMMA), polyvinyl alcohol (PVA) and cellulose acetate (CA) at atmospheric conditions. The absorption maximum of 6-HQ in polymer films was observed at 333 ± 1 nm, whereas fluorescence (FL) maximum fell in the range of 365-371 nm. In PVA film, in addition to the typical FL, a band maximum at 432 nm appeared as a result of an excited-state intermolecular proton transfer (ESIPT) reaction facilitated in the hydrogen-bonded complex formed in the ground state between 6-HQ:PVA. The multi-exponential decay behavior of 6-HQ in all the three polymer films indicates a nanoscale heterogeneity of the polymer environments.

48 CFR 52.219-8 - Utilization of small business concerns.

Science.gov (United States)

2010-10-01

... management and daily business operations of which are controlled by one or more veterans. Women-owned small... Clauses 52.219-8 Utilization of small business concerns. As prescribed in 19.708(a), insert the following clause: Utilization of Small Business Concerns (MAY 2004) (a) It is the policy of the United States that...

A sequential model for the structure of health care utilization.

NARCIS (Netherlands)

Herrmann, W.J.; Haarmann, A.; Baerheim, A.

2017-01-01

Traditional measurement models of health care utilization are not able to represent the complex structure of health care utilization. In this qualitative study, we, therefore, developed a new model to represent the health care utilization structure. In Norway and Germany, we conducted episodic

Investigation of Al2O3 barrier film properties made by atomic layer deposition onto fluorescent tris-(8-hydroxyquinoline) aluminium molecular films

International Nuclear Information System (INIS)

Maindron, Tony; Aventurier, Bernard; Ghazouani, Ahlem; Jullien, Tony; Rochat, Névine; Simon, Jean-Yves; Viasnoff, Emilie

2013-01-01

Al 2 O 3 films have been deposited at 85 °C by atomic layer deposition onto single 100 nm thick tris-(8-hydroxyquinoline) aluminium (AlQ 3 ) films made onto silicon wafers. It has been found that a thick ALD-deposited Al 2 O 3 layer (> 11 nm) greatly prevents the photo-oxidation of AlQ 3 films when exposed to continuous UV irradiation (350 mW/cm 2 ). Thin Al 2 O 3 thicknesses (< 11 nm) on the contrary yield lower barrier performances. Defects in the Al 2 O 3 layer have been easily observed as non-fluorescent AlQ 3 singularities, or black spots, under UV light on the system Si/AlQ 3 /Al 2 O 3 stored into laboratory conditions (22 °C/50% Relative Humidity (RH)) for long time scale (∼ 2000 h). Accelerated aging conditions in a climatic chamber (85 °C/85% RH) also allow faster visualization of the same defects (168 h). The black spot density grows upon time and the black spot density occurrence rates have been calculated to be 0.024 h −1 ·cm −2 and 0.243 h −1 ·cm −2 respectively for the two testing conditions. A detailed investigation of these defects did show that they cannot be ascribed to the presence of a detectable particle. In that sense they are presumably the consequence of the existence of nanometre-scaled defects which cannot be detected onto fresh samples. Interestingly, an additional overcoating of ebeam-deposited SiO 2 onto the Si/AlQ 3 /Al 2 O 3 sample helps to decrease drastically the black spot density occurrence rates down to 0.004 h −1 ·cm −2 and 0.04 h −1 ·cm −2 respectively for 22 °C/50% RH and 85 °C/85% RH testing conditions. These observations highlight the moisture sensitivity of low temperature ALD-deposited Al 2 O 3 films and confirm the general idea that a single Al 2 O 3 ALD film performs as an ultra-high barrier but needs to be overprotected from water condensation by an additional moisture-stable layer. - Highlights: • Thin Al 2 O 3 films have been deposited by atomic layer deposition onto organic films. �

The Socially Stable Core in Structured Transferable Utility Games

NARCIS (Netherlands)

Herings, P.J.J.; van der Laan, G.; Talman, A.J.J.

2004-01-01

We consider cooperative games with transferable utility (TU-games), in which we allow for a social structure on the set of players, for instance a hierarchical ordering or a dominance relation.The social structure is utilized to refine the core of the game, being the set of payoffs to the players

Synthesis, analysis and radiolysis of the cobalt III 8 hydroxyquinolinate complex

International Nuclear Information System (INIS)

Mestnik, S.A.C.; Silva, C.P.G. da.

1981-11-01

The cobalt III 8-hidroxyquinolinate complex was syntetized from a solution of cobalt II. The compound was analysed by IR absorption spectroscopy, elemental analysis and by the determination of number of ligands. The radiolytic degradation was verified by spectrophotometry after submitting samples of 10 - 3 M complex in ethanolic solution to different doses of gamma radiation from a 60 Co source. The change of maximum absorbance of the complex with different doses of gamma radiation and its UV-VIS absorption spectra are presented. The complex in the solid state was also irradiated with 6,9 Mrad of gamma radiation but it didn't present degradation. (Author) [pt

Structural Dynamics in Metal Tris-hydroxyquinolines: Interconversion of Meridianal and Facial Alq3 Isomers

Science.gov (United States)

Ferris, Kim; Sapochak, Linda; Burrows, Paul; Rodovsky, Deanna; Marmolejo, Theresa

2004-03-01

While previous work investigating the charge transport properties of Alq3 has indicated that the meridianal (mer) conformation of Alq3 is predominant species, recent work suggesting identification of a facial (fac) form raises again the question of heterogeneity. Electronic structure computations from our group have noted that the energy difference(in parenthesis) between the mer and fac conformations is highly sensitive to basis set description (8.6 kcal/mol//3-21g*/SCF; 6.9 kcal/mol//6-31g*/SCF), electron correlation (6.0 kcal/mol//3-21g*/MP2; 4.7 kcal/mol//6-31g*/MP2), and solvent effects (4.4 kcal/mol/3-21g*/SCF/DMSO). Given these small energy differences, we have conducted a series of Hartree-Fock and first principles electronic structure computations on the interconversion of these structural forms, and will report on the structural and energetic aspects of the transformation. The likely reaction path involves lengthening of the Al-N bond to the point where a pentacoordinate intermediate or transition state would be formed, followed by flipping of the ligand through rotation around the Al-O bond. Following Schmidbauer's earlier work, we note that transformation involving only one ligand will actually lead to a facial isomer. Preliminary characterization of this transition state suggests that the activation energy is approximately 20-25 kcal/mol above the mer conformation. The authors gratefully acknowledge financial support from PNNL Laboratory Directed Research and Development Project and the U.S. Department of Energy, Office of Science, Materials Sciences Division.

Synthesis and Optical Characterization of Mixed Ligands Beryllium Complexes for Display Device Applications

Directory of Open Access Journals (Sweden)

Vandna Nishal

2015-01-01

Full Text Available Synthesis and photoluminescent behaviour of mixed ligand based beryllium complexes with 2-(2-hydroxyphenylbenzoxazole (HPB and 5-chloro-8-hydroxyquinoline (Clq or 5,7-dichloro-8-hydroxyquinoline (Cl2q or 2-methyl-8-hydroxyquinoline (Meq or 8-hydroxyquinoline (q are reported in this work. These complexes, that is, [BeHPB(Clq], [BeHPB(Cl2q], [BeHPB(Meq], and [BeHPB(q], were prepared and their structures were confirmed by elemental analysis, Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, and thermal analysis. The beryllium complexes exhibited good thermal stability up to ~300°C temperature. The photophysical properties of beryllium complexes were studied using ultraviolet-visible absorption and photoluminescence emission spectroscopy. The complexes showed absorption peaks due to π-π∗ and n-π∗ electronic transitions. The complexes emitted greenish blue light with peak wavelength at 496 nm, 510 nm, 490 nm, and 505 nm, respectively, consisting of high intensity. Color tuning was observed with changing the substituents in quinoline ring ligand in metal complexes. The emitted light had Commission Internationale d’Eclairage color coordinates values at x=0.15 and y=0.43 for [BeHPB(Clq], x=0.21 and y=0.56 for [BeHPB(Cl2q], x=0.14 and y=0.38 for [BeHPB(Meq], x=0.17 and y=0.41 for [BeHPB(q]. Theoretical calculations using DFT/B3LYP/6-31G(d,p method were performed to reveal the three-dimensional geometries and the frontier molecular orbital energy levels of these synthesized metal complexes.

Study on Utilization of LVL Sengon (Paraserianthes falcataria for Three-Hinged Gable Frame Structures

Directory of Open Access Journals (Sweden)

Ali Awaludin

2016-07-01

Full Text Available This study focuses on the utilization of non-prismatic LVL members of wood species Sengon (Paraserianthes falcataria for three-hinged gable frame structures. This wood species matures in 6 to 8 years, and the innovative application as LVL product for these structures is evaluated. A full-scale model of a beam-column connection is produced and tested to validate the moment-rotation response predicted by the numerical study using ABAQUS. The FEM results showed a linear-elastic moment-rotation curve response up to a joint rotation of 0.015 radians which is in very good agreement with the experiment. This validated FE model for the beam-column joint was further utilized to generate predictions for the moment-rotation relation using different bolt diameters and configurations. The last part of this study presents an evaluation of the maximum load bearing capacity of three-hinged gable frame timber structures considering a rigid and semi-rigid beam-column joint model. If the load carrying capacity is governed by the yielding of the bolt, the gable frame structure with the rigid beam-column joint overestimates the load bearing capacity by 17% to 25%.

Effects of pulsing solution, packaging material and passive ...

African Journals Online (AJOL)

The experiment consisted of four pulsing solutions (silver thiosulfate + Chrysal clear solution (RVB), silver thiosulfate + 8-hydroxyquinoline sulphate, silver thiosulfate + Chrysal clear solution + hydroxyquinoline sulphate and H2O), two packaging types (cardboard box and box with polyethylene bag) and four storage period ...

Investigation of Al{sub 2}O{sub 3} barrier film properties made by atomic layer deposition onto fluorescent tris-(8-hydroxyquinoline) aluminium molecular films

Energy Technology Data Exchange (ETDEWEB)

Maindron, Tony; Aventurier, Bernard [LETI/DOPT/SCOOP/Laboratoire des Composants pour la Visualisation, CEA-LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble Cedex 9 (France); Ghazouani, Ahlem; Jullien, Tony [LETI/DTSI/SDEP/Laboratoire Dépôt Equipe 2, CEA-LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble Cedex 9 (France); Rochat, Névine [LETI/DTSI/Service de Caractérisation des Matériaux et Composants, CEA-LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble Cedex 9 (France); Simon, Jean-Yves; Viasnoff, Emilie [LETI/DOPT/SCOOP/Laboratoire des Composants pour la Visualisation, CEA-LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble Cedex 9 (France)

2013-12-02

Al{sub 2}O{sub 3} films have been deposited at 85 °C by atomic layer deposition onto single 100 nm thick tris-(8-hydroxyquinoline) aluminium (AlQ{sub 3}) films made onto silicon wafers. It has been found that a thick ALD-deposited Al{sub 2}O{sub 3} layer (> 11 nm) greatly prevents the photo-oxidation of AlQ{sub 3} films when exposed to continuous UV irradiation (350 mW/cm{sup 2}). Thin Al{sub 2}O{sub 3} thicknesses (< 11 nm) on the contrary yield lower barrier performances. Defects in the Al{sub 2}O{sub 3} layer have been easily observed as non-fluorescent AlQ{sub 3} singularities, or black spots, under UV light on the system Si/AlQ{sub 3}/Al{sub 2}O{sub 3} stored into laboratory conditions (22 °C/50% Relative Humidity (RH)) for long time scale (∼ 2000 h). Accelerated aging conditions in a climatic chamber (85 °C/85% RH) also allow faster visualization of the same defects (168 h). The black spot density grows upon time and the black spot density occurrence rates have been calculated to be 0.024 h{sup −1}·cm{sup −2} and 0.243 h{sup −1}·cm{sup −2} respectively for the two testing conditions. A detailed investigation of these defects did show that they cannot be ascribed to the presence of a detectable particle. In that sense they are presumably the consequence of the existence of nanometre-scaled defects which cannot be detected onto fresh samples. Interestingly, an additional overcoating of ebeam-deposited SiO{sub 2} onto the Si/AlQ{sub 3}/Al{sub 2}O{sub 3} sample helps to decrease drastically the black spot density occurrence rates down to 0.004 h{sup −1}·cm{sup −2} and 0.04 h{sup −1}·cm{sup −2} respectively for 22 °C/50% RH and 85 °C/85% RH testing conditions. These observations highlight the moisture sensitivity of low temperature ALD-deposited Al{sub 2}O{sub 3} films and confirm the general idea that a single Al{sub 2}O{sub 3} ALD film performs as an ultra-high barrier but needs to be overprotected from water condensation by an

Synthesis and Characterization of Well-Defined Soluble Alq3- and Znq2-Functionalized Polymers via RAFT Copolymerization

Directory of Open Access Journals (Sweden)

Chengchao Wang

2010-01-01

Full Text Available The reversible addition-fragmentation chain transfer (RAFT copolymerizations of 2-((8-hydroxyquinolin-5-ylmethoxyethyl methacrylate (HQHEMA with styrene (St or methyl methacrylate (MMA were successfully carried out in the presence of 2-cyanoprop-2-yl dithionaphthalenoate (CPDN. The polymerization behaviors showed the typical living natures by the first-order polymerization kinetics, the linear dependence of molecular weights of the polymers on the monomer conversions with the relatively narrow molecular weight distributions (Mw/Mn, and the successful chain extension experiments. The soluble polymers having tris(8-hydroxyquinolinealuminum (Alq3 and bis(8-hydroxyquinoline znic(II (Znq2 side chains were obtained via complexation of the polymers with aluminium isopropoxide or zinc acetate in the presence of monomeric 8-hydroxyquinoline, which had strong fluorescent emission at 520 nm. The obtained polymers were characterized by GPC, NMR, UV-vis, and fluorescent spectra.

Tariff rebalancing and price structure in privatised utilities

International Nuclear Information System (INIS)

Weyman-Jones, T.; Burns, P.

1996-01-01

The document contains the end of award report on research into re-balancing and price structure in privatised utilities, funded by the Economic and Social Science Research Council (ESRC). Ramsey pricing ideas in United Kingdom utilities were modelled under different forms of regulation and cost/price relationships measured. Alternative forms of regulation that permit Ramsey pricing were also evaluated. Option price theory is shown to be central to an understanding of incentive mechanisms and their relationship to regulatory options. (UK)

48 CFR 752.219-8 - Utilization of small business concerns and small disadvantaged business concerns.

Science.gov (United States)

2010-10-01

... business concerns and small disadvantaged business concerns. 752.219-8 Section 752.219-8 Federal... AND CONTRACT CLAUSES Texts of Provisions and Clauses 752.219-8 Utilization of small business concerns and small disadvantaged business concerns. The Foreign Assistance Act calls for USAID to give small...

Assessing utility where short measures are required: development of the short Assessment of Quality of Life-8 (AQoL-8) instrument.

Science.gov (United States)

Hawthorne, Graeme

2009-09-01

As researchers seek to include clinical outcomes, the health-related quality of life (HRQoL) of participants and meet economic evaluation demands, they are confronted with collecting disparate outcome data where parsimony is imperative. This study addressed this through construction of a short HRQoL measure, the Assessment of Quality of Life (AQoL)-8 from the original AQoL. Data from the AQoL validation database (N = 996) were reanalyzed using item response theory (IRT) to identify the least fitting items, which were removed. The standard AQoL scoring algorithm and weights were applied. Validity, reliability, and sensitivity tests were carried out using the 2004 South Australian Health Omnibus Survey (N = 3015), including direct comparisons with other short utility measures, the EQ5D and SF6D. The IRT analysis showed that the AQoL was a weak scale (Loevinger H = 0.36) but reliable (Mokken rho = 0.84). Removal of the four weakest items led to an 8-item instrument with two items per subscale, the AQoL-8. The AQoL-8 Loevinger H = 0.38 and Mokken rho = 0.80 suggested similar psychometric properties to the AQoL. It correlated (intraclass correlation coefficient) 0.95 (or 90% of shared variance) with the AQoL. The AQoL-8 was as sensitive to six common health conditions as the AQoL, EQ5D, and SF6D. The utility scores fall on the same life-death scale as those of the AQoL. Where parsimony is imperative, researchers may consider use of the AQoL-8 to collect participant self-report HRQoL data that is suitable for use either as reported outcomes or for the calculation of quality-adjusted life-years for cost-utility analysis.

Structural properties of small Lin (n = 5-8) atomic clusters via ab initio random structure searching: A look into the role of different implementations of long-range dispersion corrections

Science.gov (United States)

Putungan, Darwin Barayang; Lin, Shi-Hsin

2018-01-01

In this work, we looked into the lowest energy structures of small lithium clusters (Lin, n = 5, 6, 7, 8) utilizing conventional PBE exchange-correlation functional, PBE with D2 dispersion correction and PBE with Tkatchenko and Scheffler (TS) dispersion correction, and searched using ab initio random structure searching. Results show that in general, dispersion-corrected PBE obtained similar lowest minima structures as those obtained via conventional PBE regardless of the type of implementation, although both D2 and TS found several high-energy isomers that conventional PBE did not arrive at, with TS in general giving more structures per energy range that could be attributed to its environment-dependent implementation. Moreover, D2 and TS dispersion corrections found a lowest energy geometry for Li8 cluster that is in agreement with the structure obtained via the typical benchmarking method diffusion Monte Carlo in a recent work. It is thus suggested that for much larger lithium clusters, utilization of dispersion correction could be of help in searching for lowest energy minima that is in close agreement with that of diffusion Monte Carlo results, but computationally inexpensive.

(E-2-[2-(4-Carboxyphenylethenyl]-8-hydroxyquinolin-1-ium chloride ethanol monosolvate

Directory of Open Access Journals (Sweden)

Edwin Weber

2013-12-01

Full Text Available In the title compound, C18H14NO3+·Cl−·CH3CH2OH, the dihedral angle formed by the mean planes of the quinolinium and benzene rings is 3.4 (1°, while the carboxy substituent is tilted at an angle of 4.8 (1° with respect to the benzene ring. There is a short N—H...O contact in the cation. In the crystal, due to the planar molecular geometry, two-dimensional aggregates are formed parallel to (221 via C—H...O, C—H...Cl, O—H...Cl and N—H...Cl hydrogen bonds. Interlayer association is accomplished by O—Hethanol...Cl and O—H...Oethanol hydrogen bonds and π–π stacking interactions [centroid–centroid distances vary from 3.6477 (12 to 3.8381 (11 Å]. A supramolecular three-dimensional architecture results from a stacked arrangement of layers comprising the ionic and hydrogen-bonded components.

The Evolution of Alq3 Films Exposure to Air

OpenAIRE

Wang, Min; Zhou, Yan; Hark, Sui Kong; Zhu, Xi

2017-01-01

Small molecular solar cell becomes more stable when a thin tris-(8-hydroxyquinoline) aluminum (Alq3) buffer layer instead of bathocuproine (BCP) is inserted between the active layer and electrode. In this work, we introduce a single layer device (ITO / Alq3 / Au) exposure to air to investigate the role of Alq3 in organic solar cells. The large PL intensity and undetectable Raman peaks of 8-hydroxyquinoline (8-Hq), a degradation product of Alq3 through chemical reaction, indicate that the degr...

Ligand exchange in uranyl complexes in non-aqueous solutions: equilibrium properties

International Nuclear Information System (INIS)

Egozy, Y.; Weiss, S.

1976-01-01

The systems uranyl nitrate, tributylphosphate and 8-hydroxyquinoline or diphenylcarbazone were studied in chloroform, carbon tetrachloride and 1,2-dichloroethane at a number of temperatures. The nature of the complexes formed was determined and the equilibrium constants and several thermodynamic functions were measured. 8-hydroxyquinoline and diphenylcarbazone will be valuable as indicators for uranyl in kinetic studies. They are also interesting since they participate, along with tributylphosphate, in formation of synergistic complexes. (author)

Sonochemical fabrication of 8-hydroxyquinoline aluminum (Alq3) nanoflowers with high electrogenerated chemiluminescence.

Science.gov (United States)

Mao, Chang-Jie; Wang, Dan-Chen; Pan, Hong-Cheng; Zhu, Jun-Jie

2011-03-01

Well-defined Alq(3) nanoflowers were fabricated via a facile and fast sonochemical route. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field-emission scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the structure and shape of the as-prepared product. The results showed that the resulting Alq(3) was composed of nanobelts with thickness about 50 nm, average widths of 200 nm, and length up to 10 μm. The Alq(3) nanoflowers exhibited good electrogenerated chemiluminescence behavior. Copyright © 2010 Elsevier B.V. All rights reserved.

Influence of Preparation Conditions on Electrical Properties of the Al/Alq3/Si Diode Structures

Directory of Open Access Journals (Sweden)

Irina ČERNIUKĖ

2013-12-01

Full Text Available Hybrid organic-inorganic diode structures, Al/Alq3/n-Si and Al/Alq3/p-Si based on thin films of tris(8-hydroxyquinoline aluminum (Alq3 have been investigated. The Alq3 films were evaporated in vacuum and spin coated onto patterned areas of crystalline n- and p-type Si substrates with chemically removed native SiO2 layer. Current-voltage characteristics of the diode structures demonstrated improved rectification property compared to similar Al/n-Si and Al/p-Si device structures. Increased barrier height values (0.90 eV ÷ 1.1 eV and 0.77 eV ÷ 0.91 eV for the Al/Alq3/n-Si and Al/Alq3/p-Si device structures, respectively certified presence of an interface dipole induced by the organic interlayer. Non-ideal behavior of forward current-voltage characteristics has been explained assuming non-uniformity of barrier height, presence of interface states, and influence of the organic film on diode series resistance and space charge limited current. DOI: http://dx.doi.org/10.5755/j01.ms.19.4.2733

Synthesis and characterization of 5,7-dimethyl-8-hydroxyquinoline and 2-(2-pyridyl)benzimidazole complexes of zinc(II) for optoelectronic application

Science.gov (United States)

Singh, Kapoor; Kumar, Amit; Srivastava, Ritu; Kadyan, Partap S.; Kamalasanan, Modeeparampil N.; Singh, Ishwar

2011-11-01

Bis(5,7-dimethyl-8-hydroxyquinolinato)zinc(II) (Me 2q) 2Zn and 5,7-dimethyl-8-hydroxyquinolinato(2-(2-pyridyl)benzimidazole) zinc(II) Me 2q(pbi)Zn have been synthesized and characterized by various techniques. These metal complexes have high thermal stability (>300 °C) and high glass transition temperatures (>150 °C). The vacuum deposited films of these materials show good film forming property and are suitable for opto-electronic applications. Multilayered organic electroluminescent (EL) devices have been fabricated having structure ITO/α-NPD/zinc complex/BCP/Alq 3/LiF/Al, which produce emission with chromaticity having Commission Internationale d'Eclairage (CIE) coordinates x = 0.506 and y = 0.484 for (Me 2q) 2Zn; x = 0.47 and y = 0.52 for (Me 2q)(pbi)Zn complex. The electroluminescence spectra show peak emission centered at 572 and 561 nm respectively for these materials.

Facile and green fabrication of organic single-crystal hollow micro/nanostructures

Energy Technology Data Exchange (ETDEWEB)

Yang Jun; Chen Yingzhi; Ou Xuemei; Zhang Xiaohong [Nano-organic Photoelectronic Laboratory and Key Laboratory of Photochemical Conversion and Optoelectronic Materials, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Zhang Xiujuan, E-mail: xjzhang@suda.edu.cn, E-mail: xhzhang@mail.ipc.ac.cn [Functional Nano and Soft Materials Laboratory (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China)

2011-07-15

Under high humidity and appropriate temperature, tris (8-hydroxyquinoline) aluminum (Alq3) solid micro/nanostructures may be etched into hollow structures and still retain their crystalline structures and surface morphologies. The shapes and sizes of the hollow structures are easily adjusted by varying the experimental parameters. Throughout the entire process, water is introduced into the system instead of organic or corrosive solvents, making this method convenient and environmentally friendly; it can also be extended to application in other materials such as TCNQ.

Improved luminescence intensity and stability of thermal annealed ZnO incorporated Alq3 composite films.

Science.gov (United States)

Cuba, M; Muralidharan, G

2015-11-01

The 30 wt% of ZnO (weight percentage of ZnO has been optimised) incorporated tris- (8-hydroxyquinoline)aluminum (Alq3) has been synthesised and coated on to glass substrates using dip coating method. The structural and optical properties of the Alq3/ZnO composite film after thermal annealing from 50 to 300 °C insteps 50° has been studied and reported. XRD pattern reveals the presence of crystalline ZnO in all the annealed films. The films annealed above 150 °C reveal the presence of crystalline Alq3 along with crystalline ZnO. The FTIR spectra confirm the presence of hydroxyquinoline and ZnO vibration in all the annealed composite films. The composite films annealed above 150 °C show a partial sublimation and degradation of hydroxyquinoline compounds. The ZnO incorporated composite films (Alq3/ZnO) exhibit two emission peaks, one corresponding to ZnO at 487 nm and another at 513 nm due to Alq3. The films annealed at 200 °C exhibit maximum photoluminescence (PL) intensity than pristine film at 513 nm when excited at 390 nm.

Study of thermal degradation of organic light emitting device structures by X-ray scattering

International Nuclear Information System (INIS)

Lee, Young-Joo; Lee, Heeju; Byun, Youngsuk; Song, Sanghoon; Kim, Je-Eun; Eom, Daeyong; Cha, Wonsuk; Park, Seong-Sik; Kim, Jinwoo; Kim, Hyunjung

2007-01-01

We report the process of thermal degradation of organic light emitting devices (OLEDs) having multilayered structure of [LiF/tris-(8-hydroxyquinoline) aluminum(Alq 3 )/N,N'-Bis(naphthalen-1-yl)-N,N'-bis(phenyl)benzidine (NPB)/copper phthalocyanine (CuPc)/indium tin oxide (ITO)/SiO 2 on a glass] by synchrotron X-ray scattering. The results show that the thermally induced degradation process of OLED multilayers has undergone several evolutions due to thermal expansion of NPB, intermixing between NPB, Alq 3 , and LiF layers, dewetting of NPB on CuPc, and crystallization of NPB and Alq 3 depending on the annealing temperature. The crystallization of NPB appears at 180 deg. C, much higher temperature than the glass transition temperature (T g = 96 deg. C) of NPB. The results are also compared with the findings from the atomic force microscope (AFM) images

Three-dimensional structure of interleukin 8 in solution

International Nuclear Information System (INIS)

Clore, G.M.; Appella, E.; Gronenborn, A.M.; Yamada, Masaki; Matsushima, Kouji

1990-01-01

The solution structure of the interleukin 8 (IL-8) dimer has been solved by nuclear magnetic resonance (NMR) spectroscopy and hybrid distance geometry-dynamical simulated annealing calculations. The structure determination is based on a total of 1,880 experimental distance restraints (of which 82 are intersubunit) and 362 torsion angle restraints (comprising φ, ψ, and χ 1 torsion angles). A total of 30 simulated annealing structures were calculated, and the atomic rms distribution about the mean coordinate positions (excluding residues 1-5 of each subunit) is 0.41 ± 0.08 angstrom for the backbone atoms and 0.90 ± 0.08 angstrom for all atoms. The three-dimensional solution structure of the IL-8 dimer reveals a structural motif in which two symmetry-related antiparallel α-helices, approximately 24 angstrom long and separated by about 14 angstrom, lie on top of six-stranded antiparallel β-sheet platform derived from two three-stranded Greek keys, one from each monomer unit. The general architecture is similar to that of the α1/α2 domains of the human class I histocompatibility antigen HLA-A2. It is suggested that the two α-helices form the binding site for the cellular receptor and that the specificity of IL-8, as well as that of a number of related proteins involved in cell-specific chemotaxis, mediation of cell growth, and the inflammatory response, is achieved by the distinct distribution of charged and polar residues at the surface of the helices

Three-dimensional structure of interleukin 8 in solution.

Science.gov (United States)

Clore, G M; Appella, E; Yamada, M; Matsushima, K; Gronenborn, A M

1990-02-20

The solution structure of the interleukin 8 (IL-8) dimer has been solved by nuclear magnetic resonance (NMR) spectroscopy and hybrid distance geometry-dynamical simulated annealing calculations. The structure determination is based on a total of 1880 experimental distance restraints (of which 82 are intersubunit) and 362 torsion angle restraints (comprising phi, psi, and chi 1 torsion angles). A total of 30 simulated annealing structures were calculated, and the atomic rms distribution about the mean coordinate positions (excluding residues 1-5 of each subunit) is 0.41 +/- 0.08 A for the backbone atoms and 0.90 +/- 0.08 A for all atoms. The three-dimensional solution structure of the IL-8 dimer reveals a structural motif in which two symmetry-related antiparallel alpha-helices, approximately 24 A long and separated by about 14 A, lie on top of a six-stranded antiparallel beta-sheet platform derived from two three-stranded Greek keys, one from each monomer unit. The general architecture is similar to that of the alpha 1/alpha 2 domains of the human class I histocompatibility antigen HLA-A2. It is suggested that the two alpha-helices form the binding site for the cellular receptor and that the specificity of IL-8, as well as that of a number of related proteins involved in cell-specific chemotaxis, mediation of cell growth, and the inflammatory response, is achieved by the distinct distribution of charged and polar residues at the surface of the helices.

Synthesis of multidrug resistance modulator LY335979 labeled with deuterium and tritium

International Nuclear Information System (INIS)

Czeskis, B.A.

1997-01-01

DIDEUTERO AND DITRITIOISOTOPOMERS OF THE MULTIDRUG RESISTANCE MODULATOR LY335979 WERE PREPARED BY INITIAL BROMINATION OF 5-HYDROXYQUINOLINE UNDER ACIDIC CONDITIONS FOLLOWED BY MITSUNOBU COUPLING OF 6,8-DIBROMO-5-HYDROXYQUINOLINE WITH (S)-GLYCIDOL. OPENING OF THE RESULTING EPOXIDE WITH DIBENZOSUBERYLPIPERAZINE LY335995 RESULTED IN DIBROMOANALOG OF LY335979, WHICH WAS FINALLY REDUCTIVELY DEBROMINATED WITH DEUTERIUM OR TRITIUM IN THE PRESENCE OF PALLADIUM ON CARBON. (AUTHOR)

A microfluidic device for separation of amniotic fluid mesenchymal stem cells utilizing louver-array structures.

Science.gov (United States)

Wu, Huei-Wen; Lin, Xi-Zhang; Hwang, Shiaw-Min; Lee, Gwo-Bin

2009-12-01

Human mesenchymal stem cells can differentiate into multiple lineages for cell therapy and, therefore, have attracted considerable research interest recently. This study presents a new microfluidic device for bead and cell separation utilizing a combination of T-junction focusing and tilted louver-like structures. For the first time, a microfluidic device is used for continuous separation of amniotic stem cells from amniotic fluids. An experimental separation efficiency as high as 82.8% for amniotic fluid mesenchymal stem cells is achieved. Furthermore, a two-step separation process is performed to improve the separation efficiency to 97.1%. These results are based on characterization experiments that show that this microfluidic chip is capable of separating beads with diameters of 5, 10, 20, and 40 microm by adjusting the volume-flow-rate ratio between the flows in the main and side channels of the T-junction focusing structure. An optimal volume-flow-rate ratio of 0.5 can lead to high separation efficiencies of 87.8% and 85.7% for 5-microm and 10-microm beads, respectively, in a one-step separation process. The development of this microfluidic chip may be promising for future research into stem cells and for cell therapy.

Fabrication of anticorrosive multilayer onto magnesium alloy substrates via spin-assisted layer-by-layer technique

Energy Technology Data Exchange (ETDEWEB)

Cai Kaiyong, E-mail: Kaiyong_cai@cqu.edu.cn [Key Laboratory of Biorheological Science and Technology (Chongqing University), Ministry of Education, College of Bioengineering, Chongqing University, Chongqing 400044 (China); Sui Xiaojing; Hu Yan [Key Laboratory of Biorheological Science and Technology (Chongqing University), Ministry of Education, College of Bioengineering, Chongqing University, Chongqing 400044 (China); Zhao Li [China National Centre for Biotechnology Development, No. 16, Xi Si Huan Zhong Lu, Haidian District, Beijing 100036 (China); Lai Min; Luo Zhong; Liu Peng; Yang Weihu [Key Laboratory of Biorheological Science and Technology (Chongqing University), Ministry of Education, College of Bioengineering, Chongqing University, Chongqing 400044 (China)

2011-12-01

To improve the corrosion resistance of magnesium alloy, we reported a novel approach for the fabrication of anticorrosive multilayers onto AZ91D substrates. The multilayers were composed of poly(ethylene imine) (PEI), poly(styrene sulfonate) (PSS) and 8-hydroxyquinoline (8HQ). They were deposited onto AZ91D substrates via a spin-assisted layer-by-layer (LbL) technique. The multilayered structure was stabilized with glutaraldehyde (GA) as crossing linker. It was confirmed by Fourier transform infrared spectroscopy (FT-IR). Surface morphologies and elemental compositions of the formed anticorrosive multilayers were characterized with scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS), respectively. The corrosion performance of the multilayer coated AZ91D substrates was characterized by hydrogen evolution. The results of electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements suggested that the multilayered coating improved the corrosion resistance of AZ91D substrates. In vitro study revealed that the multilayered coating was cytocompatible. The study provides a potential alternative for the fabrication of corrosion resistant magnesium alloy-based implants. Highlights: {yields} Corrosion protective multilayers have been constructed onto AZ91D substrates via layer by layer technique. {yields} The multilayered structured containing 8-hydroxyquinoline highly improves the corrosion resistance of AZ91D substrates. {yields} The novel multilayered coating is potentially important for developing corrosion resistant magnesium alloy-based implants.

Fabrication of anticorrosive multilayer onto magnesium alloy substrates via spin-assisted layer-by-layer technique

International Nuclear Information System (INIS)

Cai Kaiyong; Sui Xiaojing; Hu Yan; Zhao Li; Lai Min; Luo Zhong; Liu Peng; Yang Weihu

2011-01-01

To improve the corrosion resistance of magnesium alloy, we reported a novel approach for the fabrication of anticorrosive multilayers onto AZ91D substrates. The multilayers were composed of poly(ethylene imine) (PEI), poly(styrene sulfonate) (PSS) and 8-hydroxyquinoline (8HQ). They were deposited onto AZ91D substrates via a spin-assisted layer-by-layer (LbL) technique. The multilayered structure was stabilized with glutaraldehyde (GA) as crossing linker. It was confirmed by Fourier transform infrared spectroscopy (FT-IR). Surface morphologies and elemental compositions of the formed anticorrosive multilayers were characterized with scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS), respectively. The corrosion performance of the multilayer coated AZ91D substrates was characterized by hydrogen evolution. The results of electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements suggested that the multilayered coating improved the corrosion resistance of AZ91D substrates. In vitro study revealed that the multilayered coating was cytocompatible. The study provides a potential alternative for the fabrication of corrosion resistant magnesium alloy-based implants. Highlights: → Corrosion protective multilayers have been constructed onto AZ91D substrates via layer by layer technique. → The multilayered structured containing 8-hydroxyquinoline highly improves the corrosion resistance of AZ91D substrates. → The novel multilayered coating is potentially important for developing corrosion resistant magnesium alloy-based implants.

Coordination Polymers of N, Nʼ-di-(8-Hydroxyquinolinolyl- 5-methyl-N, N-diethyl-1,3-propane diamine (QEPD

Directory of Open Access Journals (Sweden)

Asha D. Patel

2010-01-01

Full Text Available Coordination polymers containing a novel bis(oxine bidentate ligand, namely N,Nʼ-di(8-hydroxyquinolinolyl-5-methyl-N,Nʼ-diethyl-1,3-propane diamine (QEPD have been prepared with the metal ions Zn(II, Cu(II, Ni(II, Co(II and Mn(II. The novel bis-(bidentate ligand was synthesized by condensation of 5-chloromethyl-8-hydroxyquinoline hydrochloride with N,Nʼ-diethyl-1,2- propane diamine in the presence of a base catalyses. All of these coordination polymers and the parent ligand were characterized by elemental analyses, IR spectral and diffuse reflectance spectral studies. The thermal stability and number- average molecular weights (Mn¯ of all of the coordination polymers were determined by thermogravimetric analyses and non-aqueous conductometric titrations, respectively. In addition, all of the coordination polymers have been characterized by their magnetic susceptibilities.

Confined Growth of ZIF-8 Nanocrystals with Tunable Structural Colors

DEFF Research Database (Denmark)

Chang, Bingdong; Yang, Yuanqing; Jansen, Henri

2018-01-01

Zeolitic imidazolate frameworks (ZIF-8) have promising applications as sensors or catalysts due to their highly porous crystalline structures. While most of the previous studies are based on ZIF-8 crystals either in isolated particles in aqueous environments or in a compact colloidal form, here...... down to ≈100 nm. A wide range of structural colors generated by the ZIF-8 nanocrystals is also observed, which can be attributed to the size-dependent resonant scattering as verified by finite-difference time-domain simulations and classical Mie theory. The scalable fabrication of wafer-based ZIF-8...

High-pressure U3O8 with the fluorite-type structure

International Nuclear Information System (INIS)

Zhang, F.X.; Lang, M.; Wang, J.W.; Li, W.X.; Sun, K.; Prakapenka, V.; Ewing, R.C.

2014-01-01

A new high-pressure phase of U 3 O 8 , which has a fluorite-type structure, forms at pressures greater than ∼8.1 GPa that was confirmed by in situ x-ray diffraction (XRD) measurements. The fluorite-type U 3 O 8 is stable at pressures at least up to ∼40 GPa and temperatures to 1700 K, and quenchable to ambient conditions. Based on the XRD analysis, there is a huge volume collapse (>20%) for U 3 O 8 during the phase transition and the quenched high-pressure phase is 28% denser than the initial orthorhombic phase at ambient conditions. The high-pressure phase has a very low compressibility comparing with the starting orthorhombic phase. - Graphical abstract: α-U 3 O 8 is in a layered structure with orthorhombic symmetry, at high pressures, it transformed to a fluorite-type cubic structure. There are a lot of defects in the cubic structure, and it is a new kind of hyperstoichiometric uranium oxide, which is stable at ambient conditions. - Highlights: • A new fluorite-type high-pressure phase was found in hyperstoichometric UO 2 +x (x∼0.8). • The new high-pressure structure is quenchable to ambient conditions. • Pressure driven phase transition in orthorhombic U 3 O 8 was first found

The structures of P{sub 8} and P{sub 9} clusters

Energy Technology Data Exchange (ETDEWEB)

Song Bin; Cao Peilin; Zhao Wei; Li Baoxing [Zhejiang Univ., Hangzhou, ZJ (China). Dept. of Physics

2001-08-01

Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of P{sub 8} and P{sub 9} clusters. We get fourteen stable structures for P{sub 8} and fifteen stable structures for P{sub 9}. The results confirm that ''cuneane'' structure is the most stable isomer of P{sub 8} clusters. However, the distortion of a D{sub 3h} prism, which has not been reported so far, is the most stable among the fifteen P{sub 9} isomers. (orig.)

Enhanced PL and EL properties of Alq3/nano-TiO2 with the modification of 8-vinyl POSS

Science.gov (United States)

Li, Jie; Xie, Bing; Xia, Kai; Zhao, Chunmao; Li, Yingchun; Hu, Shengliang

2018-04-01

In this study, tris (8-hydroxyquinoline) aluminum/nano-titanium dioxide (Alq3/nano-TiO2) composites were synthesized using a simply in-situ process with 8-vinyl polyhedral oligomeric silsesquioxane (POSS) as a modifier. The as-prepared Alq3/nano-TiO2 composites were characterized by X-ray powder diffraction (XRD), field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS) and ultraviolet visible (UV-vis) absorption spectra. The effect of modification on luminescence properties for the samples was studied by photoluminescence (PL) spectra, electroluminescence (EL) spectra and time-resolved luminescence decay curves. Organic light emitting diodes (OLEDs) with the corresponded emitting layer structure were investigated. The results show that the amphiphilicity of the 8-vinyl POSS leads to well-dispersion state of the nano-TiO2 in the Alq3. Adding a proper weight percentage of 8-vinyl POSS is beneficial for the PL and EL properties enhancement of the composites. OLED using the Alq3/nano-TiO2 with 1 wt% 8-vinyl POSS emitting layer has the low turn-on voltage (4.7 V at 1 cd/m2), high maximum luminance (7463 cd/m2 at 8.75 V), and high luminous efficiency (1.13 cd/A at 100 mA/cm2). Adding 1 wt% 8-vinyl POSS in Alq3/nano-TiO2 can increase the EL intensity by a factor of 37.1 at 8 V. These values are better than those for OLEDs using the Alq3 emitting layer. The increase in luminance and current efficiency stability can be attributed to the energy transfer process between the Alq3 and the nano-TiO2, and the suppression of the self-quenching by caged 8-vinyl POSS molecules.

Structure of the cold- and menthol-sensing ion channel TRPM8.

Science.gov (United States)

Yin, Ying; Wu, Mengyu; Zubcevic, Lejla; Borschel, William F; Lander, Gabriel C; Lee, Seok-Yong

2018-01-12

Transient receptor potential melastatin (TRPM) cation channels are polymodal sensors that are involved in a variety of physiological processes. Within the TRPM family, member 8 (TRPM8) is the primary cold and menthol sensor in humans. We determined the cryo-electron microscopy structure of the full-length TRPM8 from the collared flycatcher at an overall resolution of ~4.1 ångstroms. Our TRPM8 structure reveals a three-layered architecture. The amino-terminal domain with a fold distinct among known TRP structures, together with the carboxyl-terminal region, forms a large two-layered cytosolic ring that extensively interacts with the transmembrane channel layer. The structure suggests that the menthol-binding site is located within the voltage-sensor-like domain and thus provides a structural glimpse of the design principle of the molecular transducer for cold and menthol sensation. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Liquid-liquid extraction of Th4+ and UO22+ by LIX-26 and its mixtures

International Nuclear Information System (INIS)

Singh, S.; Panda, C.R.; Chakravortty, V.; Dash, K.C.

1988-01-01

Solvent extractions of thorium(IV) and uranium(VI) by a commercially available chelating extractant LIX-26 (an alkylated 8-hydroxyquinoline) of 8-hydroxyquinoline, benzoic or salicylic acid, dipentyl sulfoxide (DPSO) and their mixtures with butanol as modifier in benzene/methylisobutyl ketone (MIBK) as a diluent were studied. The influence of concentration of various anions on the extraction of Th 4+ by mixtures of LIX-26 and benzoic acid was studied. Studies on extraction of thorium(IV) and uranium(VI) by mixtures of LIX-26 (HQ) and DPSO show that the extracted species are possibly of the type [(ThQ 2 (DPSO) 2 (SCN) 2 )] and [(UO 2 Q 2 (DPSO)]), respectively. (author) 22 refs.; 8 figs

Structural Adaptation of Cold-Active RTX Lipase from Pseudomonas sp. Strain AMS8 Revealed via Homology and Molecular Dynamics Simulation Approaches

Directory of Open Access Journals (Sweden)

Mohd. Shukuri Mohamad Ali

2013-01-01

Full Text Available The psychrophilic enzyme is an interesting subject to study due to its special ability to adapt to extreme temperatures, unlike typical enzymes. Utilizing computer-aided software, the predicted structure and function of the enzyme lipase AMS8 (LipAMS8 (isolated from the psychrophilic Pseudomonas sp., obtained from the Antarctic soil are studied. The enzyme shows significant sequence similarities with lipases from Pseudomonas sp. MIS38 and Serratia marcescens. These similarities aid in the prediction of the 3D molecular structure of the enzyme. In this study, 12 ns MD simulation is performed at different temperatures for structural flexibility and stability analysis. The results show that the enzyme is most stable at 0°C and 5°C. In terms of stability and flexibility, the catalytic domain (N-terminus maintained its stability more than the noncatalytic domain (C-terminus, but the non-catalytic domain showed higher flexibility than the catalytic domain. The analysis of the structure and function of LipAMS8 provides new insights into the structural adaptation of this protein at low temperatures. The information obtained could be a useful tool for low temperature industrial applications and molecular engineering purposes, in the near future.

The relationship of lateral anatomic structures to exiting guide pins during femoral tunnel preparation utilizing an accessory medial portal.

Science.gov (United States)

Farrow, Lutul D; Parker, Richard D

2010-06-01

Anatomic reconstruction of the anterior cruciate ligament through an accessory medial portal has become increasingly popular. The purpose of this study is to describe the relationship of guide pin exit points to the lateral anatomic structures when preparing the anterior cruciate ligament femoral tunnel through an accessory medial portal. We utilized seven fresh frozen cadaveric knees. Utilizing an anteromedial approach, a guide wire was placed into the center of each bundle's footprint. Each guide wire was advanced through the lateral femoral cortex. The guide pins were passed at 90, 110, and 130 degrees of knee flexion. The distances from each guide pin to the closest relevant structures on the lateral side of the knee were measured. At 90 degrees the posterolateral bundle guide pin was closest to the lateral condyle articular cartilage (mean 5.4 +/- 2.2 mm) and gastrocnemius tendon (mean 5.7 +/- 2.1 mm). At 110 degrees the posterolateral bundle pin was closest to the gastrocnemius tendon (mean 4.5 +/- 3.4 mm). At 130 degrees the posterolateral bundle pin was closest to the gastrocnemius tendon (mean 7.2 +/- 5.5 mm) and lateral collateral ligament (mean 6.8 +/- 2.1 mm). At 90 degrees the anteromedial bundle guide pin was closest to the articular cartilage (mean 2.0 +/- 2.0 mm). At 110 degrees the anteromedial bundle pin was closest to the articular cartilage (mean 7.4 +/- 3.5 mm) and gastrocnemius tendon (mean 12.3 +/- 3.1 mm). At 130 degrees the AM bundle pin was closest to the gastrocnemius tendon (mean 8.2 +/- 3.2 mm) and LCL (mean 15.1 +/- 2.9 mm). Neither guide pin (anteromedial or posterolateral bundle) put the peroneal nerve at risk at any knee flexion angle. At low knee flexion angles the anteromedial and posterolateral bundle guide pins closely approximated multiple lateral structures when using an accessory medial arthroscopic portal. Utilizing higher flexion angles increases the margin of error when preparing both femoral tunnels. During preparation of

Electronic structure of Ag8GeS6

Directory of Open Access Journals (Sweden)

D.I. Bletskan

2017-04-01

Full Text Available For the first time, the energy band structure, total and partial densities of states of Ag8GeS6 crystal were calculated using the ab initio density functional method in LDA and LDA+U approximations. Argyrodite is direct-gap semiconductor with the calculated band gap width Egd = 1.46 eV in the LDA+U approximation. The valence band of argyrodite contains four energy separated groups of occupied subzones. The unique feature of electron-energy structure of Ag8GeS6 crystal is the energy overlapping between the occupied d-states of Ag atoms and the delocalized valence p-states of S atoms in relatively close proximity to the valence band top.

Active pipe-embedded structures in buildings for utilizing low-grade energy sources: A review

International Nuclear Information System (INIS)

Xu, Xinhua; Wang, Jinbo; Wang, Shengwei; Xiao, Fu

2010-01-01

Low-grade energy sources such as geothermal energy, favorable ambient air and industrial waste heat etc. exist widely. Sufficient utilization of these low-grade energy sources may reduce our daily dependence on high-grade energy sources such as electricity resulting in reduced emission of green house gas for environmental conservation. Active pipe-embedded structure as floor/ceiling usually with water as the medium to carry heat or coolth may utilize these low-grade energy sources for providing space air-conditioning. Compact arrangement of pipes in the structure may significantly enlarge heat transfer surface between the slab mass and water in the pipe allowing substantial heat flows even for relatively small temperature differences. Application of the heat or coolth storage capacity of this structure for preheating or pre-cooling is also one among the advantages of this structure for shifting load and exploiting the nighttime cheap electricity tariff in some regions. This paper presents the technology of the active pipe-embedded structure for utilizing widely existing low-grade energy sources following by a comprehensive review on the heat transfer calculation models of this structure and its practical applications in real building systems for space air-conditioning. This review shows that more works on the active structure, especially simple and transient models for dynamic and accurate performance prediction and easy integration with existing building energy simulation packages, are worthwhile for further promoting the practical application wherever the low-grade energy sources are favorable. (author)

Norm Divergence, Opportunity Structure and Utilization of Self-Employed Immigrants' Qualifications

DEFF Research Database (Denmark)

Rezaei, Shahamak; Goli, Marco

2009-01-01

of immigrants' qualifications has come up to the surface of political and societal debate in Denmark. The focus of this study was challenges to that utilization. Focusing on opportunity structure and the formal and informal components of the concept and self-employment among migrants as one of the major...... the distribution of all self-employed migrants with national background in third countries with regard to (a) Business line: What they were doing and (b) Educational level: What was the level of their formal education. In order to make comparisons possible we had extracted data on 10% of self-employed with native...... sets of factors: One was the formal as well as the informal, e.g., substantially experienced by self employed immigrants, opportunity structure and the second was the type of qualifications that were required and developed in the informal economy, that produced and utilized specific comparative...

The Structure of the ZMYND8/Drebrin Complex Suggests a Cytoplasmic Sequestering Mechanism of ZMYND8 by Drebrin.

Science.gov (United States)

Yao, Ningning; Li, Jianchao; Liu, Haiyang; Wan, Jun; Liu, Wei; Zhang, Mingjie

2017-11-07

Malfunctions of the actin binding protein Drebrin have been implicated in various human diseases such as Alzheimer's disease, cognitive impairments, cancer, and digestive disorders, though with poorly understood mechanisms. The ADF-H domain of Drebrin does not contain actin binding and depolymerizing activity. Instead, it binds to a histone marker reader, ZMYND8. Here we present the high-resolution crystal structure of Drebrin ADF-H in complex with the ZMYND8 PHD-BROMO-PWWP tandem, elucidating the mechanistic basis governing the highly specific interaction of the two proteins. The structure reveals that the ZMYND8 PHD-BROMO-PWWP tandem forms a structural supramodule that is necessary for binding to Drebrin ADF-H. Drebrin ADF-H competes with modified histone for binding to ZMYND8. Binding of Drebrin can shuttle ZMYND8 from nucleus to cytoplasm in living cells. Taken together, our study uncovers a non-actin target binding mode for ADF-H domains, and suggests that Drebrin may regulate activities of epigenetic reader ZMYND8 via its cytoplasmic sequestration. Copyright © 2017 Elsevier Ltd. All rights reserved.

Immunolocalization of 8-5' and 8-8' linked structures of lignin in cell walls of Chamaecyparis obtusa using monoclonal antibodies.

Science.gov (United States)

Kiyoto, Shingo; Yoshinaga, Arata; Tanaka, Naoyuki; Wada, Munehisa; Kamitakahara, Hiroshi; Takabe, Keiji

2013-03-01

Mouse monoclonal antibodies were generated against dehydrodiconiferyl alcohol- or pinoresinol-p-aminohippuric acid (pAHA)-bovine serum albumin (BSA) conjugate as probes that specifically react with 8-5' or 8-8' linked structure of lignin in plant cell walls. Hybridoma clones were selected that produced antibodies that positively reacted with dehydrodiconiferyl alcohol- or pinoresinol-pAHA-BSA and negatively reacted with pAHA-BSA and guaiacylglycerol-beta-guaiacyl ether-pAHA-BSA conjugates containing 8-O-4' linkage. Eight clones were established for each antigen and one of each clone that positively reacted with wood sections was selected. The specificity of these antibodies was examined by competitive ELISA tests using various lignin dimers with different linkages. The anti-dehydrodiconiferyl alcohol antibody reacted specifically with dehydrodiconiferyl alcohol and did not react with other model compounds containing 8-O-4', 8-8', or 5-5' linkages. The anti-pinoresinol antibody reacted specifically with pinoresinol and syringaresinol and did not react with the other model compounds containing 8-O-4', 8-5', or 5-5' linkages. The antibodies also did not react with dehydrodiconiferyl alcohol acetate or pinoresinol acetate, indicating that the presence of free phenolic or aliphatic hydroxyl group was an important factor in their reactivity. In sections of Japanese cypress (Chamaecyparis obtusa), labeling by the anti-dehydrodiconiferyl alcohol antibody was found in the secondary walls of phloem fibers and in the compound middle lamellae, and secondary walls of tracheids. Weak labeling by the anti-pinoresinol antibody was found in secondary walls of phloem fibers and secondary walls and compound middle lamellae of developed tracheids. These labelings show the localization of 8-5' and 8-8' linked structure of lignin in the cell walls.

Structure of autophagy-related protein Atg8 from the silkworm Bombyx mori

International Nuclear Information System (INIS)

Hu, Chen; Zhang, Xuan; Teng, Yan-Bin; Hu, Hai-Xi; Li, Wei-Fang

2010-01-01

The crystal structure of autophagy-related protein Atg8 from the silkworm B. mori has two additional helices at the N-terminus before the expected ubiquitin fold. Autophagy-related protein Atg8 is ubiquitous in all eukaryotes. It is involved in the Atg8–PE ubiquitin-like conjugation system, which is essential for autophagosome formation. The structures of Atg8 from different species are very similar and share a ubiquitin-fold domain at the C-terminus. In the 2.40 Å crystal structure of Atg8 from the silkworm Bombyx mori reported here, the ubiquitin fold at the C-terminus is preceded by two additional helices at the N-terminus

Utility of AD8 for Cognitive Impairment in a Chinese Physical Examination Population: A Preliminary Study

Science.gov (United States)

Xie, Yue; Gao, Ya; Jia, Jianjun; Wang, Xiaohong; Wang, Zhenfu; Xie, Hengge

2014-01-01

Objective. To investigate the utility of AD8 for cognitive impairment in a Chinese physical examination population. Methods. Military cadres who took routine physical examination in Chinese PLA General Hospital from Jan 1, 2013, to Dec 31, 2013, were subjected to AD8 scale. Individual information such as age, gender, and education was also collected. All data were analyzed by SPSS 19.0. Results. 1544 subjects were enrolled in this study with mean age 75.4 ± 10.6 years. The subjects who scored 0 to 8 of AD8 scale were 1015, 269, 120, 60, 30, 14, 19, 8, and 9, respectively. Corresponding proportions were 65.7%, 17.4%, 7.8%, 3.9%, 2.0%, 0.9%, 1.2%, 0.5%, and 0.6%, respectively. The endorsement prevalence of 8 questions was 5.6%, 9.2%, 6.6%, 9.2%, 4.8%, 4.5%, 8.9%, and 24.1%, respectively. The endorsement prevalence of question 8 was significantly higher than others (P physical examination population. PMID:25436227

Estimation of failure probability on real structure utilized by earthquake observation data

International Nuclear Information System (INIS)

Matsubara, Masayoshi

1995-01-01

The objective of this report is to propose the procedure which estimates the structural response on a real structure by utilizing earthquake observation data using Neural network system. We apply the neural network system to estimate the ground motion of the site by enormous earthquake data published from Japan Meteorological Agency. The proposed procedure has some possibility to estimate the correlation between earthquake and response adequately. (author)

Time-resolved pump-probe X-ray absorption fine structure spectroscopy of Gaq3

International Nuclear Information System (INIS)

Dicke, Benjamin

2013-01-01

Gallium(tris-8-hydroxyquinoline) (Gaq 3 ) belongs to a class of metal organic compounds, used as electron transport layer and emissive layer in organic light emitting diodes. Many research activities have concentrated on the optical and electronic properties, especially of the homologue molecule aluminum(tris-8-hydroxyquinoline) (Alq 3 ). Knowledge of the first excited state S 1 structure of these molecules could provide deeper insight into the processes involved into the operation of electronic devices, such as OLEDs and, hence, it could further improve their efficiency and optical properties. Until now the excited state structure could not be determined experimentally. Most of the information about this structure mainly arises from theoretical calculations. X-ray absorption fine structure (XAFS) spectroscopy is a well developed technique to determine both, the electronic and the geometric properties of a sample. The connection of ultrashort pulsed X-ray sources with a pulsed laser system offers the possibility to use XAFS as a tool for studying the transient changes of a sample induced by a laser pulse. In the framework of this thesis a new setup for time-resolved pump-probe X-ray absorption spectroscopy at PETRA III beamline P11 was developed for measuring samples in liquid form. In this setup the sample is pumped into its photo-excited state by a femtosecond laser pump pulse with 343 nm wavelength and after a certain time delay probed by an X-ray probe pulse. In this way the first excited singlet state S 1 of Gaq 3 dissolved in benzyl alcohol was analyzed. A structural model for the excited state structure of the Gaq 3 molecule based on the several times reproduced results of the XAFS experiments is proposed. According to this model it was found that the Ga-N A bond length is elongated, while the Ga-O A bond length is shortened upon photoexcitation. The dynamics of the structural changes were not the focus of this thesis. Nevertheless the excited state lifetime

Utilization of Flexible Airspace Structure in Flight Efficiency Optimization

Directory of Open Access Journals (Sweden)

Tomislav Mihetec

2013-04-01

Full Text Available With increasing air traffic demand in the Pan-European airspace there is a need for optimizing the use of the airspace structure (civilian and military in a manner that would satisfy the requirements of civil and military users. In the area of Europe with the highest levels of air traffic (Core area 32% of the volume of airspace above FL 195 is shared by both civil and military users. Until the introduction of the concept of flexible use of airspace, flexible airspace structures were 24 hours per day unavailable for commercial air transport. Flexible use of airspace concept provides a substantial level of dynamic airspace management by the usage of conditional routes. This paper analyses underutilization of resources, flexible airspace structures in the Pan-European airspace, especially in the south-eastern part of the traffic flows (East South Axis, reducing the efficiency of flight operations, as result of delegating the flexible structures to military users. Based on previous analysis, utilization model for flexible use of airspace is developed (scenarios with defined airspace structure. The model is based on the temporal, vertical, and modular airspace sectorisation parameters in order to optimize flight efficiency. The presented model brings significant improvement in flight efficiency (in terms of reduced flight distance for air carriers that planned to fly through the selected flexible airspace structure (LI_RST-49.

ENDF utility codes version 6.8

International Nuclear Information System (INIS)

McLaughlin, P.K.

1992-01-01

Description and operating instructions are given for a package of utility codes operating on evaluated nuclear data files in the formats ENDF-5 and ENDF-6. Included are the data checking codes CHECKER, FIZCON, PSYCHE; the code INTER for retrieving thermal cross-sections and some other data; graphical plotting codes PLOTEF, GRALIB, graphic device interface subroutine library INTLIB; and the file maintenance and retrieval codes LISTEF, SETMDC, GETMAT, STANEF. This program package which is designed for CDC, IBM, DEC and PC computers, can be obtained on magnetic tape or floppy diskette, free of charge, from the IAEA Nuclear Data Section. (author)

[Susceptibility of enterococci to natural and synthetic iron chelators].

Science.gov (United States)

Lisiecki, Paweł; Mikucki, Jerzy

2002-01-01

A total of 79 strains of enterococci belonging to 10 species were tested for susceptibility to natural and synthetic iron chelators. All strains produced siderophores. These enterococci were susceptible to three synthetic iron chelators only: 8-hydroxyquinoline, disodium versenate (EDTA) and o-phenanthroline. They were resistant to all other synthetic chelators: ethylenediamine-di(o-hydroxyphenylacetic acid) (EDDHA), nitrilotriacetate, 2,2'-bipiridyl, salicylic acid, 8-hydroxy-5-sulphonic acid and to all natural chelators: ovotransferrine, human apotransferrine, horse apoferritine, desferrioxamine B, ferrichrome and rhodotorulic acid. The relations between susceptibility/resistance, iron assimilation and structure and stability constants of iron chelators were discussed.

Crystal structure of PrRh4.8B2

International Nuclear Information System (INIS)

Higashi, Iwami; Shishido, Toetsu; Takei, Humihiko; Kobayashi, Takaaki

1988-01-01

The crystal structure of a new rare earth ternary boride PrRh 4.8 B 2 was investigated, by single-crystal X-ray diffractometry. PrRh 4.8 B 2 crystallizes in the orthorhombic space group Immm with a = 9.697(4), b = 5.577(2), c = 25.64(3) A, Z=12. The intensity data were collected on a four-circle diffractometer with graphite-monochromatized Mo Kα radiation. The structure was solved by the Patterson method and refined with a full-matrix least-squares program to an R value (equal to Σvertical strokeΔFvertical stroke/Σvertical strokeF 0 vertical stroke) of 0.055 for 1176 reflections. (orig.)

Membrane filtration of nickel(II) on cellulose acetate filters for its preconcentration, separation, and flame atomic absorption spectrometric determination

Energy Technology Data Exchange (ETDEWEB)

Soylak, Mustafa [Chemistry Dept., Faculty of Science Arts, University of Erciyes, Kayseri (Turkey); Unsal, Yunus Emre; Aydin, Ayse [Fen Bilimleri Enstitusu, University of Erciyes, Kayseri (Turkey); Kizil, Nebiye [Saglik Bilimleri Enstitusu, University of Erciyes, Kayseri (Turkey)

2010-01-15

An enrichment method for trace amounts of Ni(II), as 8-hydroxyquinoline chelates, has been established on a cellulose acetate membrane filter. Ni(II)-8-hydroxyquinoline chelates adsorbed on a membrane filter were eluted using 5 mL of 1 M HNO{sub 3}. The eluent nickel concentration was determined by a flame atomic absorption spectrometer. The influence of some analytical parameters, including pH, amount of reagent, sample volume, etc., on recovery was investigated. The interference of co-existent ions was studied. The nickel detection limit was 4.87 {mu}g/L. The method was applied to real samples for the determination of nickel(II) ions. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Utilization technology on slurried ash

Energy Technology Data Exchange (ETDEWEB)

Kanbe, Yoshio; Yasuda, Minoru; Furuki, Yasuhiko [The Coal Mining Research Centre, Japan, Tokyo, Japan; Electric Power Development Co., Ltd., Tokyo (Japan))

1987-08-01

Three research results of the utilization technology on slurried ash were reported. As for the utilization as the fly ash quick setting (FQS) backfill grout for tail void in shield works of tunneling, grout blending was simplified, the blended solution of cement, clay, additives and water was stabilized, and a favorable workability and long term durability were obtained. As for the utilization as the material of a SMW (soil mixing wall) method for continuous walls in long shaft digging, a fly ash-gypsum-cement (FGC) stabilizer showed an excellent workability and remarkably high water-tightness as compared with conventional cement bentonite. As for the utilization as the material of an injection method of overlay mats in foundation works of light weight structures on the sea bed mud foundation, since a FGC concrete weight in water was remarkably light as 0.7t/m{sup 3}, no both large mold form strength and vibration compacting were required. 10 figs., 8 tabs.

Comparison of organic light emitting diodes with different mixed layer structures

Energy Technology Data Exchange (ETDEWEB)

Kee, Y.Y.; Siew, W.O. [Faculty of Engineering, Multimedia University, 63100 Cyberjaya (Malaysia); Yap, S.S. [Faculty of Engineering, Multimedia University, 63100 Cyberjaya (Malaysia); Faculty of Engineering, University of Malaya, 50603 Kuala Lumpur (Malaysia); Tou, T.Y., E-mail: tytou@mmu.edu.my [Faculty of Engineering, Multimedia University, 63100 Cyberjaya (Malaysia)

2014-11-03

A mixed-source thermal evaporation method was used to fabricate organic light emitting diodes (OLEDs) with uniformly mixed (UM), continuously graded mixed (CGM) and step-wise graded, mixed (SGM) light-emitting layers. N,N′-Bis(3-methylphenyl)-N,N′-diphenylbenzidine and Tris-(8-hydroxyquinoline)aluminum were used, respectively, as the hole- and electron-transport materials. As compared to the conventional, heterojunction OLED, the maximum brightness of UM-, CGM- and SGM-OLEDs without charge injection layers were improved by 2.2, 3.8 and 2.1 times, respectively, while the maximum power efficiencies improved by 1.5, 3.2 and 1.9 times. These improvements were discussed in terms of more distributed recombination zone and removal of interfacial barrier. - Highlights: • Fabrication of OLEDs using a mixed-source evaporation technique • Three different types of mixed-host OLEDs with better brightness • Improved electroluminescence and power efficiencies as compared to conventional OLED.

Utility of AD8 for Cognitive Impairment in a Chinese Physical Examination Population: A Preliminary Study

Directory of Open Access Journals (Sweden)

Yue Xie

2014-01-01

Full Text Available Objective. To investigate the utility of AD8 for cognitive impairment in a Chinese physical examination population. Methods. Military cadres who took routine physical examination in Chinese PLA General Hospital from Jan 1, 2013, to Dec 31, 2013, were subjected to AD8 scale. Individual information such as age, gender, and education was also collected. All data were analyzed by SPSS 19.0. Results. 1544 subjects were enrolled in this study with mean age 75.4 ± 10.6 years. The subjects who scored 0 to 8 of AD8 scale were 1015, 269, 120, 60, 30, 14, 19, 8, and 9, respectively. Corresponding proportions were 65.7%, 17.4%, 7.8%, 3.9%, 2.0%, 0.9%, 1.2%, 0.5%, and 0.6%, respectively. The endorsement prevalence of 8 questions was 5.6%, 9.2%, 6.6%, 9.2%, 4.8%, 4.5%, 8.9%, and 24.1%, respectively. The endorsement prevalence of question 8 was significantly higher than others (P<0.05. 260 subjects were scored equal to or greater than 2. The abnormal rate was 16.9%. All the participants were stratified into 9 groups by age; the prevalence of dementia was highly correlated with age (P<0.01. Conclusion. AD8 scale is a convenient and effective tool for cognitive screening in routine physical examination population.

Structural basis for the inhibition of histone deacetylase 8 (HDAC8, a key epigenetic player in the blood fluke Schistosoma mansoni.

Directory of Open Access Journals (Sweden)

Martin Marek

Full Text Available The treatment of schistosomiasis, a disease caused by blood flukes parasites of the Schistosoma genus, depends on the intensive use of a single drug, praziquantel, which increases the likelihood of the development of drug-resistant parasite strains and renders the search for new drugs a strategic priority. Currently, inhibitors of human epigenetic enzymes are actively investigated as novel anti-cancer drugs and have the potential to be used as new anti-parasitic agents. Here, we report that Schistosoma mansoni histone deacetylase 8 (smHDAC8, the most expressed class I HDAC isotype in this organism, is a functional acetyl-L-lysine deacetylase that plays an important role in parasite infectivity. The crystal structure of smHDAC8 shows that this enzyme adopts a canonical α/β HDAC fold, with specific solvent exposed loops corresponding to insertions in the schistosome HDAC8 sequence. Importantly, structures of smHDAC8 in complex with generic HDAC inhibitors revealed specific structural changes in the smHDAC8 active site that cannot be accommodated by human HDACs. Using a structure-based approach, we identified several small-molecule inhibitors that build on these specificities. These molecules exhibit an inhibitory effect on smHDAC8 but show reduced affinity for human HDACs. Crucially, we show that a newly identified smHDAC8 inhibitor has the capacity to induce apoptosis and mortality in schistosomes. Taken together, our biological and structural findings define the framework for the rational design of small-molecule inhibitors specifically interfering with schistosome epigenetic mechanisms, and further support an anti-parasitic epigenome targeting strategy to treat neglected diseases caused by eukaryotic pathogens.

Investigation of the utility of selective methyl protonation for determination of membrane protein structures

International Nuclear Information System (INIS)

Shih, Steve C. C.; Stoica, Ileana; Goto, Natalie K.

2008-01-01

Polytopic α-helical membrane proteins present one of the final frontiers for protein structural biology, with significant challenges causing severe under-representation in the protein structure databank. However, with the advent of hardware and methodology geared to the study of large molecular weight complexes, solution NMR is being increasingly considered as a tool for structural studies of these types of membrane proteins. One method that has the potential to facilitate these studies utilizes uniformly deuterated samples with protons reintroduced at one or two methyl groups of leucine, valine and isoleucine. In this work we demonstrate that in spite of the increased proportion of these amino acids in membrane proteins, the quality of structures that can be obtained from this strategy is similar to that obtained for all α-helical water soluble proteins. This is partly attributed to the observation that NOEs between residues within the transmembrane helix did not have an impact on structure quality. Instead the most important factors controlling structure accuracy were the strength of dihedral angle restraints imposed and the number of unique inter-helical pairs of residues constrained by NOEs. Overall these results suggest that the most accurate structures will arise from accurate identification of helical segments and utilization of inter-helical distance restraints from various sources to maximize the distribution of long-range restraints

Transformation with TT8 and HB12 RNAi Constructs in Model Forage (Medicago sativa, Alfalfa) Affects Carbohydrate Structure and Metabolic Characteristics in Ruminant Livestock Systems.

Science.gov (United States)

Li, Xinxin; Zhang, Yonggen; Hannoufa, Abdelali; Yu, Peiqiang

2015-11-04

Lignin, a phenylpropanoid polymer present in secondary cell walls, has a negative impact on feed digestibility. TT8 and HB12 genes were shown to have low expression levels in low-lignin tissues of alfalfa, but to date, there has been no study on the effect of down-regulation of these two genes in alfalfa on nutrient chemical profiles and availability in ruminant livestock systems. The objectives of this study were to investigate the effect of transformation of alfalfa with TT8 and HB12 RNAi constructs on carbohydrate (CHO) structure and CHO nutritive value in ruminant livestock systems. The results showed that transformation with TT8 and HB12 RNAi constructs reduced rumen, rapidly degraded CHO fractions (RDCA4, P = 0.06; RDCB1, P alfalfa with TT8 and HB12 RNAi constructs induced molecular structure changes. Different CHO functional groups had different sensitivities and different responses to the transformation. The CHO molecular structure changes induced by the transformation were associated with predicted CHO availability. Compared with HB12 RNAi, transformation with TT8 RNAi could improve forage quality by increasing the availability of both NDF and DM. Further study is needed on the relationship between the transformation-induced structure changes at a molecular level and nutrient utilization in ruminant livestock systems when lignification is much higher.

SPring-8 Structural Biology Beamlines / Current Status of Public Beamlines for Protein Crystallography at SPring-8

International Nuclear Information System (INIS)

Kawamoto, Masahide; Hasegawa, Kazuya; Shimizu, Nobutaka; Sakai, Hisanobu; Shimizu, Tetsuya; Nisawa, Atsushi; Yamamoto, Masaki

2007-01-01

SPring-8 has 2 protein crystallography beamlines for public use, BL38B1 (Structural Biology III) and BL41XU (Structural Biology I). The BL38B1 is a bending magnet beamline for routine data collection, and the BL41XU is an undulator beamline specially customized for micro beam and ultra-high resolutional experiment. The designs and the performances of each beamline are presented

Protein 8-class secondary structure prediction using conditional neural fields.

Science.gov (United States)

Wang, Zhiyong; Zhao, Feng; Peng, Jian; Xu, Jinbo

2011-10-01

Compared with the protein 3-class secondary structure (SS) prediction, the 8-class prediction gains less attention and is also much more challenging, especially for proteins with few sequence homologs. This paper presents a new probabilistic method for 8-class SS prediction using conditional neural fields (CNFs), a recently invented probabilistic graphical model. This CNF method not only models the complex relationship between sequence features and SS, but also exploits the interdependency among SS types of adjacent residues. In addition to sequence profiles, our method also makes use of non-evolutionary information for SS prediction. Tested on the CB513 and RS126 data sets, our method achieves Q8 accuracy of 64.9 and 64.7%, respectively, which are much better than the SSpro8 web server (51.0 and 48.0%, respectively). Our method can also be used to predict other structure properties (e.g. solvent accessibility) of a protein or the SS of RNA. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

MICROSTRUCTURING OF SU-8 RESIST FOR MEMS AND BIO-APPLICATIONS

OpenAIRE

Dey, P.K.; Pramanick, B.; RaviShankar, A.; Ganguly, P.; Das, S.

2017-01-01

Some studies on the fabrication of micro-needles, micro-pillers, and micro-channels using SU-8 negative photoresist for MEMS and bio-applications are reported. The SU-8 processing technology was standardized for the purpose. Micro-pillars were fabricated on SU-8 polymer by soft lithographic technique. Micro-needles were realized on SU-8 film utilizing lensing effect of the etched groove structure of the glass substrate. Micro-channel was fabricated by molding of PDMS polymer on patterned SU-8...

Utilizing High Pressure Processing to Induce Structural Changes in Dairy and Meat Products

DEFF Research Database (Denmark)

Orlien, Vibeke

2017-01-01

High pressure (HP) is capable of modifying the functional properties of milk and meat proteins by pressure-induced changes of the molecular structure. Therefore, HP treatment of milk and meat has been extensively investigated to understand, clarify, and utilize HP processing in the food industry....

Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them

Energy Technology Data Exchange (ETDEWEB)

Mendelsohn, M.; Kreycik, C.

2012-04-01

Utility-scale solar projects have grown rapidly in number and size over the last few years, driven in part by strong renewable portfolio standards (RPS) and federal incentives designed to stimulate investment in renewable energy technologies. This report provides an overview of such policies, as well as the project financial structures they enable, based on industry literature, publicly available data, and questionnaires conducted by the National Renewable Energy Laboratory (NREL).

Unveiling the Structural Evolution of Ag_1.2Mn₈O₁₆ under Coulombically Controlled (De)Lithiation

Energy Technology Data Exchange (ETDEWEB)

Huang, Jianping [Department; Hu, Xiaobing [Energy; Brady, Alexander B. [Department; Wu, Lijun [Energy; Zhu, Yimei [Energy; Takeuchi, Esther S. [Department; Energy; Department; Marschilok, Amy C. [Department; Department; Takeuchi, Kenneth J. [Department; Department

2018-01-02

MnO₂ materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesium batteries due to their earth abundance and environmental friendliness. One polymorph of MnO₂, α-MnO₂, has 2 × 2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver-ion-containing α-MnO₂ (Ag_1.2Mn₈O₁₆) is examined as a candidate cathode material for Li based batteries. Electrochemical stability of Ag_1.2Mn₈O₁₆ is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almost constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7%) and atomic distances (~4.8%) are observed when x in Li_xAg_1.2Mn₈O₁₆ is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn–O framework. In contrast, lattice a only expands by 2.2% and Mn–O/Mn-Mn distances show minor changes (~1.4%) at x < 2. The structural deformation (tunnel breakage) at x > 4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag⁰, and long-term cycle stability for this silver-containing α-MnO₂ type material at both low and high lithiation levels.

Chemical Modification and Detoxification of the Pseudomonas aeruginosa Toxin 2-Heptyl-4-hydroxyquinoline N-Oxide by Environmental and Pathogenic Bacteria.

Science.gov (United States)

Thierbach, Sven; Birmes, Franziska S; Letzel, Matthias C; Hennecke, Ulrich; Fetzner, Susanne

2017-09-15

2-Heptyl-4-hydroxyquinoline N-oxide (HQNO), a major secondary metabolite and virulence factor produced by the opportunistic pathogen Pseudomonas aeruginosa, acts as a potent inhibitor of respiratory electron transfer and thereby affects host cells as well as microorganisms. In this study, we demonstrate the previously unknown capability of environmental and pathogenic bacteria to transform and detoxify this compound. Strains of Arthrobacter and Rhodococcus spp. as well as Staphylococcus aureus introduced a hydroxyl group at C-3 of HQNO, whereas Mycobacterium abscessus, M. fortuitum, and M. smegmatis performed an O-methylation, forming 2-heptyl-1-methoxy-4-oxoquinoline as the initial metabolite. Bacillus spp. produced the glycosylated derivative 2-heptyl-1-(β-d-glucopyranosydyl)-4-oxoquinoline. Assaying the effects of these metabolites on cellular respiration and on quinol oxidase activity of membrane fractions revealed that their EC 50 values were up to 2 orders of magnitude higher than that of HQNO. Furthermore, cellular levels of reactive oxygen species were significantly lower in the presence of the metabolites than under the influence of HQNO. Therefore, the capacity to transform HQNO should lead to a competitive advantage against P. aeruginosa. Our findings contribute new insight into the metabolic diversity of bacteria and add another layer of complexity to the metabolic interactions which likely contribute to shaping polymicrobial communities comprising P. aeruginosa.

Synthesis and antiplasmodial evaluation of novel (4-aminobutyloxy)quinolines

NARCIS (Netherlands)

Vandekerckhove, S.; Mueller, C.; Vogt, D.; Lategan, C.; Smith, P.J.; Chibale, K.; Kimpe, de N.; D'hooghe, M.W.A.

2013-01-01

A variety of 5-, 6- and 8-(4-aminobutyloxy)quinolines as novel oxygen analogues of known 4- and 8-(4-aminobutylamino)quinoline antimalarial drugs was generated from hydroxyquinolines through a three-step approach with a rhodium-catalyzed hydroformylation as the key step. Antiplasmodial assays of

Innovative SU-8 Lithography Techniques and Their Applications

Directory of Open Access Journals (Sweden)

Jeong Bong Lee

2014-12-01

Full Text Available SU-8 has been widely used in a variety of applications for creating structures in micro-scale as well as sub-micron scales for more than 15 years. One of the most common structures made of SU-8 is tall (up to millimeters high-aspect-ratio (up to 100:1 3D microstructure, which is far better than that made of any other photoresists. There has been a great deal of efforts in developing innovative unconventional lithography techniques to fully utilize the thick high aspect ratio nature of the SU-8 photoresist. Those unconventional lithography techniques include inclined ultraviolet (UV exposure, back-side UV exposure, drawing lithography, and moving-mask UV lithography. In addition, since SU-8 is a negative-tone photoresist, it has been a popular choice of material for multiple-photon interference lithography for the periodic structure in scales down to deep sub-microns such as photonic crystals. These innovative lithography techniques for SU-8 have led to a lot of unprecedented capabilities for creating unique micro- and nano-structures. This paper reviews such innovative lithography techniques developed in the past 15 years or so.

A Molecular Beam Deposition of DNA Nanometer Films

Science.gov (United States)

2007-01-01

device structure consists of ITO/PEDOT:PSS (50 nm)/NPB (30 nm)/ Alq3 (40 nm)/BCP (20 nm)/ Alq3 (10 nm)/Li:Al, while the Bi- OLED has an additional DNA...layer; DNA- CTMA is an electron blocking layer (EBL); NPB is used as hole transport layer; Alq3 is used for both the electron transport layer and the...N,N’-bis(naphthalen-1-yl)-N,N’- bis(phenyl)benzidine)], Alq3 [tris-(8-hydroxyquinoline) aluminum] and BCP [2,9- Dimethyl-4,7-diphenyl-1,10

On-orbit evaluation of the control system/structural mode interactions on OSO-8

Science.gov (United States)

Slafer, L. I.

1980-01-01

The Orbiting Solar Observatory-8 experienced severe structural mode/control loop interaction problems during the spacecraft development. Extensive analytical studies, using the hybrid coordinate modeling approach, and comprehensive ground testing were carried out in order to achieve the system's precision pointing performance requirements. A recent series of flight tests were conducted with the spacecraft in which a wide bandwidth, high resolution telemetry system was utilized to evaluate the on-orbit flexible dynamics characteristics of the vehicle along with the control system performance. This paper describes the results of these tests, reviewing the basic design problem, analytical approach taken, ground test philosophy, and on-orbit testing. Data from the tests was used to determine the primary mode frequency, damping, and servo coupling dynamics for the on-orbit condition. Additionally, the test results have verified analytically predicted differences between the on-orbit and ground test environments. The test results have led to a validation of both the analytical modeling and servo design techniques used during the development of the control system, and also verified the approach taken to vehicle and servo ground testing.

Jubilite: A 4-,8-connected Cubic Structural Pattern in Space Group Pm3

Directory of Open Access Journals (Sweden)

Eduardo A. Castro

2005-05-01

Full Text Available Abstract: In the course of investigating structural modifications of the 3-,4-connected net known as the Pt3O4 structure-type (waserite, a novel 4-,8-connected structure-type was discovered. This lattice is generated by replacing the 3-connected trigonal planar vertices of the Pt3O4 structure-type with 4-connected tetrahedral vertices, to achieve a structure which possesses a generic empirical formula of JK6L8. In such a topological modification, the four 3-fold axes of the parent cubic, Pm3n, Pt3O4 structure-type are retained. Thus the 4-connected tetrahedral vertices are oriented so as to preserve cubic symmetry in the resulting Pm3, JK6L8 (jubilite lattice. The unit cell contains a single 8-connected cubecentered vertex, six 4-connected distorted square planar vertices and eight 4-connected distorted tetrahedral vertices. It is a Wellsean structure with a Wells point symbol given by (4166484(42826(43838 and a Schläfli symbol of (53/4, 4.2667. This latter index reveals a decrease in the lattice’s polygonality and concomitant increase in the connectivity through the transformation from waserite to jubilite. The topology of the parent waserite lattice (Pt3O4 corresponds to that of the Catalan structures with the Wells point symbol (843(834, which has the Schläfli symbol (8, 3.4285. Finally, it can be seen that a sequence of structure-types starting with waserite (Pt3O4 and moving to jubilite (JK6L8 and finally to fluorite (CaF2 represents a continuous crystallographic structural transformation in which the symmetry and topology undergo concomitant changes from one structure-type (waserite to the other structure-types. The topology of the fluorite lattice, represented by the Wells point symbol (424(462, and the Schläfli symbol (4, 51/3, indicates a discontinuous topological transformation from the intermediate jubilite lattice; like the discontinuous topological transformation from Pt3O4 to JK6L8; in which the

Role of intrinsic molecular dipole in energy level alignment at organic interfaces

NARCIS (Netherlands)

Lindell, L.; Cakir, Deniz; Brocks, G.; Fahlman, M.; Braun, S.

2013-01-01

The energy level alignment in metal-organic and organic-organic junctions of the widely used materials tris-(8-hydroxyquinoline)aluminum (Alq3) and 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA) is investigated. The measured alignment schemes for single and bilayer films of Alq3 and NTCDA

Structural characterization of the PTS IIA and IIB proteins associated with pneumococcal fucose utilization.

Science.gov (United States)

Higgins, Melanie A; Hamilton, Aileen M; Boraston, Alisdair B

2017-05-01

Streptococcus pneumoniae harbors a significant number of transporters, including phosphotransferase (PTS) systems, allowing the bacterium to utilize a number of different carbohydrates for metabolic and other purposes. The genes encoding for one PTS transport system in particular (EII fuc ) are found within a fucose utilization operon in S. pneumoniae TIGR4. Here, we report the three-dimensional structures of IIA fuc and IIB fuc providing evidence that this PTS system belongs to the EII man family. Additionally, the predicted metabolic pathway for this distinctive fucose utilization system suggests that EII fuc transports the H-disaccharide blood group antigen, which would represent a novel PTS transporter specificity. Proteins 2017; 85:963-968. © 2016 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Cucurbit[8]uril templated supramolecular ring structure formation and protein assembly modulation

NARCIS (Netherlands)

Ramaekers, M.; Wijnands, S.P.W.; van Dongen, J.L.J.; Brunsveld, L.; Dankers, P.Y.W.

2015-01-01

The interplay of Phe-Gly-Gly (FGG)-tagged proteins and bivalent FGG-tagged penta(ethylene glycol) as guest molecules with cucurbit[8]uril (Q8) hosts is studied to modulate the supramolecular assembly process. Ring structure formation of the bivalent guest molecule with Q8 leads to enhanced binding

Microbial screening of thorium(IV) and dioxouranium(VI) chelates with oxine and phenols

International Nuclear Information System (INIS)

Kapadia, M.A.; Patel, M.M.; Patel, G.P.; Joshi, J.D.

2007-01-01

In the present investigation synthesis, characterization of mixed ligand chelates of the type MA 2 L 2 , where, M = Th 4+ and UO 2 2+ , A 8-hydroxyquinoline (oxine) and L = phenols, H2L I = catechol, H 2 L 2 pyrogallol, H 2 L 3 = 2,3-dihydroxy naphthalene, H 2 L 4 = 1,5-dihydroxy naphthalene and H 2 L 5 = 1,7-dihydroxy naphthalene have been reported. Their geometry have been elucidated on the basis of elemental analyses, thermogravimetric, magnetic moments, NMR, IR and electronic spectra. A study of thermal properties has also been carried out. The antimicrobial activity of 8-hydroxyquinoline and MA 2 L 2 chelates have been determined and described. All the chelates showed an effective antimicrobial activity than the free ligand. (author)

Permeation Studies of CW Agents with Fabric Treated with 8-Hydroxyquinoline

Science.gov (United States)

2017-12-01

Jeffery R. Owens AIR FORCE CIVIL ENGINEER CENTER AFCEC/CXAE, Tyndall AFB, FL 32403-5320 December 2017 Approved for public release: distribution...P.O. Box 68, Gunpowder, MD 21010-0068 Universal Technology Corp.; 139 Barnes Drive Suite 2 Tyndall AFB, FL 32404-5325 Air Force Civil Engineer ...moisture transport. The garment prevents exposure to outside chemical weapons agents (CWAs) by reacting or reducing permeation of the CWA. By

Utilization of recycled concrete aggregates in structural concrete by applying a fraction partitioning model

NARCIS (Netherlands)

Wouw, van de P.M.F.; Doudart de la Grée, G.C.H.; Florea, M.V.A.; Brouwers, H.J.H.; Bilek, V.; Kersner, Z.

2014-01-01

The recycling of concrete waste into new structural concrete reduces the utilization of raw materials, decreases transport and production energy cost, and saves the use of limited landfill space. Currently, recycling involves the use of recycled concrete aggregates (RCA) as road base material or in

In-orbit evaluation of the control system/structural mode interactions of the OSO-8 spacecraft

Science.gov (United States)

Slafer, L. I.

1979-01-01

The Orbiting Solar Observatory-8 experienced severe structural mode/control loop interaction problems during the spacecraft development. Extensive analytical studies, using the hybrid coordinate modeling approach, and comprehensive ground testing were carried out in order to achieve the system's precision pointing performance requirements. A recent series of flight tests were conducted with the spacecraft in which a wide bandwidth, high resolution telemetry system was utilized to evaluate the on-orbit flexible dynamics characteristics of the vehicle along with the control system performance. The paper describes the results of these tests, reviewing the basic design problem, analytical approach taken, ground test philosophy, and on-orbit testing. Data from the tests was used to determine the primary mode frequency, damping, and servo coupling dynamics for the on-orbit condition. Additionally, the test results have verified analytically predicted differences between the on-orbit and ground test environments, and have led to a validation of both the analytical modeling and servo design techniques used during the development of the control system.

Synthesis and atomic structure determination of Al8V5 gamma-brass

International Nuclear Information System (INIS)

Mizutani, Uichiro

2006-01-01

Many structurally complex compounds like quasicrystals and their approximants are known to be stabilized at a particular electron per atom ratio e/a, regardless of constituent elements involved. This has been often referred to as the Hume-Rothery electron concentration rule. We consider the understanding of the Hume-Rothery stabilization mechanism to be best deepened by performing both ab initio LMTO-ASA and FLAPW band calculations for the complex compound whose atomic structure is experimentally determined. Admittedly, however, a computing time increases rapidly beyond practical level with increasing the number of atoms in a unit cell. Among various candidates, we chose a series of gamma-brasses containing 52 atoms in a unit cell by taking a full advantage of the facts that it exists in as many as 24 binary alloy systems and that its unit cell is just in size to be handled even in more time-consuming FLAPW method. We have so far studied the stability mechanism of Cu 5 Zn 8 and Cu 9 Al 4 , both being regarded as its prototype, and TM 2 Zn 11 gamma-brasses containing late transition elements TM=Fe, Co, Ni and Pd. In the present work, we chose the gamma-brass consisting of early transition metal element V and trivalent element Al. An almost single phase Al 8 V 5 gamma-brass was ultimately synthesized by overcoming metallurgical difficulties encountered. Its atomic structure was determined by using the Brandon model as a starting structure in the Rietveld structure analysis for powdered diffraction spectra taken at the beam line BL02B2 of 8 GeV synchrotron radiation facility, SPring-8, Japan. The atomic structure suitable for band calculations was then proposed by eliminating quenched-in chemical disorder, i.e., partial mixing of Al and V atoms at given sites with minimum sacrifice. (author)

New quaternary oxides with both families of second-order Jahn–Teller (SOJT) distortive cations: Solid-state synthesis, structure determination, and characterization of YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8}

Energy Technology Data Exchange (ETDEWEB)

Kim, Yeong Hun [Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of); Jeon, Beom-Yong; You, Tae-Soo [Department of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of)

2015-07-15

Graphical abstract: Ball-and-stick representation of YNbTe{sub 2}O{sub 8} composed of polyhedra of SOJT distortive cations, i.e., NbO{sub 6} and TeO{sub 3}, in the ac-plane. - Highlights: • Two novel tellurite and selenite (YNbQ{sub 2}O{sub 8}; Q = Te and Se) are synthesized. • YNbQ{sub 2}O{sub 8} possess both families of second-order Jahn–Teller distortive cations. • The distortive environments and bonding nature are supported by electronic structure calculations. - Abstract: Two novel quaternary mixed metal tellurite and selenite, YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8}, respectively, have been synthesized through standard solid-state reactions using Y{sub 2}O{sub 3}, Nb{sub 2}O{sub 5}, TeO{sub 2} or SeO{sub 2} as reagents. Single crystal X-ray and powder neutron diffraction analyses have been utilized to determine the structures of the reported materials. YNbTe{sub 2}O{sub 8} and YNbSe{sub 2}O{sub 8} are isostructural to each other and crystallize in the monoclinic centrosymmetric space group, C2/m (No. 12). Due to the two families of constituent second-order Jahn–Teller (SOJT) distortive cations, i.e., Nb{sup 5+} and Te{sup 4+}/Se{sup 4+}, local asymmetric environments occur from the three-dimensional frameworks. Intra-octahedral distortions along the local C{sub 4} direction and asymmetric trigonal pyramidal coordination moieties generated by stereoactive lone pairs are observed from the NbO{sub 6} octahedra and TeO{sub 3} (or SeO{sub 3}) polyhedra, respectively. Thermogravimetric analysis, infrared and UV–vis diffuse reflectance spectroscopies, elemental analysis, out-of-center distortions, dipole moment calculations, and electronic structure calculations for the reported materials are presented.

Electric utility strategies and the emerging industry structure - Part 1

International Nuclear Information System (INIS)

Motupalli, S.

1991-01-01

The electric utility industry is our most capital intensive industry by far. Over the past few decades, socioeconomic and technological forces have been quietly revolutionizing the way the industry conducts itself. During the 1980s, these changes have been particularly intense, often catching both regulators and regulated ill-prepared to develop effective and profitable strategies to deal with such change. Much has already been written about these changes: independent power producers, competitive procurement of resources, incentive-based regulation, the benefits of affiliated company structures, mergers and consolidation, customer energy conservation, and marketing strategy development are all currently highly popular article and seminar topics. The author's object in this two-part series is to facilitate development of a decision framework to put these various changes in perspective, to help develop effective strategies through better focused and equipped planning methodologies. Gaining an understanding of the role, strengths and weaknesses of the various players in an industry and the structural constraints in which they operate is a necessary precursor to developing effective operating strategies to deal with change or to manipulate industry forces in your favor. Michael Port's popular five forces model provides a convenient way to develop such an understanding. It provides a way to map the industry forces driving profitability, through a review of the strengths, weaknesses and leverage of: current industry players, suppliers to the industry, customers for the industry's product, new entrants into the market, and substitute products providing equal or better value. Part 1 of this series reviews each of these five forces along some key dimensions to determine their direction of change or influence, and whether this change impacts a utility's competitive position favorably or unfavorably

Structure of the human-heart fatty-acid-binding protein 3 in complex with the fluorescent probe 1-anilinonaphthalene-8-sulphonic acid

Energy Technology Data Exchange (ETDEWEB)

Hirose, Mika; Sugiyama, Shigeru, E-mail: sugiyama@chem.eng.osaka-u.ac.jp [Lipid Active Structure Project, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan); Osaka University, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan); Ishida, Hanako; Niiyama, Mayumi [Lipid Active Structure Project, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan); Osaka University, 2-1 Yamadaoka, Suita 565-0871 (Japan); Matsuoka, Daisuke; Hara, Toshiaki [Lipid Active Structure Project, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan); Osaka University, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan); Mizohata, Eiichi [Osaka University, 2-1 Yamadaoka, Suita 565-0871 (Japan); Murakami, Satoshi [Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama, Kanagaw 226-8501 (Japan); Inoue, Tsuyoshi [Osaka University, 2-1 Yamadaoka, Suita 565-0871 (Japan); Matsuoka, Shigeru; Murata, Michio [Lipid Active Structure Project, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan); Osaka University, 1-1 Machikaneyama-cho, Toyonaka 560-0043 (Japan)

2013-11-01

The crystal structure of human-heart-type fatty-acid-binding protein in complex with anilinonaphthalene-8-sulfonate was solved at 2.15 Å resolution revealing the detailed binding mechanism of the fluorescent probe 1-anilinonaphthalene-8-sulfonate. Heart-type fatty-acid-binding protein (FABP3), which is a cytosolic protein abundantly found in cardiomyocytes, plays a role in trafficking fatty acids throughout cellular compartments by reversibly binding intracellular fatty acids with relatively high affinity. The fluorescent probe 1-anilinonaphthalene-8-sulfonate (ANS) is extensively utilized for examining the interaction of ligands with fatty-acid-binding proteins. The X-ray structure of FABP3 was determined in the presence of ANS and revealed the detailed ANS-binding mechanism. Furthermore, four water molecules were clearly identified in the binding cavity. Through these water molecules, the bound ANS molecule forms indirect hydrogen-bond interactions with FABP3. The adipocyte-type fatty-acid-binding protein (FABP4) exhibits 67% sequence identity with FABP3 and its crystal structure is almost the same as that of FABP3. However, FABP4 can bind with a higher affinity to ANS than FABP3. To understand the difference in their ligand specificities, a structural comparison was performed between FABP3–ANS and FABP4–ANS complexes. The result revealed that the orientation of ANS binding to FABP3 is completely opposite to that of ANS binding to FABP4, and the substitution of valine in FABP4 to leucine in FABP3 may result in greater steric hindrance between the side-chain of Leu115 and the aniline ring of ANS.

Structure of the human-heart fatty-acid-binding protein 3 in complex with the fluorescent probe 1-anilinonaphthalene-8-sulphonic acid

International Nuclear Information System (INIS)

Hirose, Mika; Sugiyama, Shigeru; Ishida, Hanako; Niiyama, Mayumi; Matsuoka, Daisuke; Hara, Toshiaki; Mizohata, Eiichi; Murakami, Satoshi; Inoue, Tsuyoshi; Matsuoka, Shigeru; Murata, Michio

2013-01-01

The crystal structure of human-heart-type fatty-acid-binding protein in complex with anilinonaphthalene-8-sulfonate was solved at 2.15 Å resolution revealing the detailed binding mechanism of the fluorescent probe 1-anilinonaphthalene-8-sulfonate. Heart-type fatty-acid-binding protein (FABP3), which is a cytosolic protein abundantly found in cardiomyocytes, plays a role in trafficking fatty acids throughout cellular compartments by reversibly binding intracellular fatty acids with relatively high affinity. The fluorescent probe 1-anilinonaphthalene-8-sulfonate (ANS) is extensively utilized for examining the interaction of ligands with fatty-acid-binding proteins. The X-ray structure of FABP3 was determined in the presence of ANS and revealed the detailed ANS-binding mechanism. Furthermore, four water molecules were clearly identified in the binding cavity. Through these water molecules, the bound ANS molecule forms indirect hydrogen-bond interactions with FABP3. The adipocyte-type fatty-acid-binding protein (FABP4) exhibits 67% sequence identity with FABP3 and its crystal structure is almost the same as that of FABP3. However, FABP4 can bind with a higher affinity to ANS than FABP3. To understand the difference in their ligand specificities, a structural comparison was performed between FABP3–ANS and FABP4–ANS complexes. The result revealed that the orientation of ANS binding to FABP3 is completely opposite to that of ANS binding to FABP4, and the substitution of valine in FABP4 to leucine in FABP3 may result in greater steric hindrance between the side-chain of Leu115 and the aniline ring of ANS

CONSIDERATIONS ON UTILIZED AGRICULTURAL LAND AND FARM STRUCTURE IN THE EUROPEAN UNION

Directory of Open Access Journals (Sweden)

Agatha POPESCU

2013-12-01

Full Text Available The paper aimed to analyze the EU-27 agricultural land, farms structure and size based on Eurostat data. In the EU, farm structure shows that farms have a small size accounting for 12 ha in average. The highest farm size is in Czech Republic (152 ha and the smallest one in Romania and Cyprus (3 ha. The size of farms has slowly increased from a year to another while the number of farms declined. About 80 % farms are situated in Romania, Italy, Poland, Spain, Greece, Hungary and France. Three countries France, Italy and Germany produces 50.51 % gross margin of the EU-27 which accounted for Euro 278.33 Billion in 2010. A number of 199,400 farms achieved 46.6 % of the total gross margin, more exactly Euro 129,810 million. These farms utilized 25 % of the Eu-27 agricultural land. The farms with less than Euro 2,000 gross margin represent 45.44 % of the total number of farms and keep 5 % of the utilized agricultural land and produce 3.39 % of the EU-27 gross margin. The farms with a higher dimension produce the highest gross margin proving that farm size has a direct influence on profitability and economic efficiency.

Characteristics of organic light emitting diodes with copper iodide as injection layer

Energy Technology Data Exchange (ETDEWEB)

Stakhira, P., E-mail: stakhira@polynet.lviv.u [Lviv Polytechnic National University, S. Bandera, 12, Lviv, 79013 (Ukraine); Cherpak, V.; Volynyuk, D.; Ivastchyshyn, F. [Lviv Polytechnic National University, S. Bandera, 12, Lviv, 79013 (Ukraine); Hotra, Z. [Lviv Polytechnic National University, S. Bandera, 12, Lviv, 79013 (Ukraine); Rzeszow University of Technology, W. Pola 2, Rzeszow, 35-959 (Poland); Tataryn, V. [Lviv Polytechnic National University, S. Bandera, 12, Lviv, 79013 (Ukraine); Luka, G. [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw (Poland)

2010-09-30

We have studied the use of a thin copper iodide (CuI) film as an efficient injection layer of holes from indium tin oxide (ITO) anode in a light-emitting diode structure based on tris-8-hydroxyquinoline aluminium (Alq3). The results of impedance analysis of two types of diode structures, ITO/CuI/Alq3/poly(ethylene glycol) dimethyl ether/Al and ITO/Alq3/poly(ethylene glycol) dimethyl ether/Al, are presented. Comparative analysis of their current density-voltage, luminance-voltage and impedance characteristics shows that presence of CuI layer facilitates injection of holes from ITO anode into the light-emitting layer Alq3 and increases electroluminescence efficiency of the organic light emitting diodes.

Aluminum surface corrosion and the mechanism of inhibitors using pH and metal ion selective imaging fiber bundles.

Science.gov (United States)

Szunerits, Sabine; Walt, David R

2002-02-15

The localized corrosion behavior of a galvanic aluminum copper couple was investigated by in situ fluorescence imaging with a fiber-optic imaging sensor. Three different, but complementary methods were used for visualizing remote corrosion sites, mapping the topography of the metal surface, and measuring local chemical concentrations of H+, OH-, and Al3+. The first method is based on a pH-sensitive imaging fiber, where the fluorescent dye SNAFL was covalently attached to the fiber's distal end. Fluorescence images were acquired as a function of time at different areas of the galvanic couple. In a second method, the fluorescent dye morin was immobilized on the fiber-optic imaging sensor, which allowed the in situ localization of corrosion processes on pure aluminum to be visualized over time by monitoring the release of Al3+. The development of fluorescence on the aluminum surface defined the areas associated with the anodic dissolution of aluminum. We also investigated the inhibition of corrosion of pure aluminum by CeCl3 and 8-hydroxyquinoline. The decrease in current, the decrease in the number of active sites on the aluminum surface, and the faster surface passivation are all consistent indications that cerium chloride and 8-hydroxyquinoline inhibit corrosion effectively. From the number and extent of corrosion sites and the release of aluminum ions monitored with the fiber, it was shown that 8-hydroxyquinoline is a more effective inhibitor than cerium chloride.

Studies on cluster, salt and molecular complex of zinc-quinolinate

Indian Academy of Sciences (India)

Reactions of zinc halides with 8-hydroxyquinoline (hydroxQ) in equimolar ratio were carried out in different solvents. ... determination of surface area. We prepared a ..... resulted in the formation of de-solvated complex, which on standing at ...

Water-Soluble 8-Hydroxyquinoline Conjugate of Amino-Glucose As Receptor for La(3+) in HEPES Buffer, on Whatman Cellulose Paper and in Living Cells.

Science.gov (United States)

Areti, Sivaiah; Bandaru, Sateesh; Teotia, Rohit; Rao, Chebrolu P

2015-12-15

A water-soluble glucopyranosyl conjugate, L, has been synthesized and characterized by different analytical and spectral techniques. The L has been demonstrated to have switch-on fluorescence enhancement of ∼75 fold in the presence of La(3+) among the nine lanthanide ions studied in the HEPES buffer at pH 7.4. A minimum detection limit of 140 nM (16 ± 2 ppb) was shown by L for La(3+) in the buffer at physiological pH. The utility of L has been demonstrated by showing its sensitivity toward La(3+) on Whatman filter paper strips. The reversible and reusable action of L has been demonstrated by monitoring the fluorescence changes as a function of the addition of La(3+) followed by F(-) and HPO4(2-) ions. The complexation of L by La(3+) was shown by absorption spectra wherein isosbestic behavior was observed. The Job's plot suggests a 2:1 complex between L and La(3+), and the same was supported by ESI-MS. The control molecular study revealed the necessity of hydroxy quinoline and the amine group for La(3+) ion binding and the glyco-moiety to bring water solubility and biocompatibility. The structural features of the [2L+La(3+)] complex were established by DFT computational calculations. The chemo-ensemble, [2L+La(3+)], is shown responsible for providing intracellular fluorescence imaging in HepG2 cells.

Three new chalcohalides, Ba4Ge2PbS8Br2, Ba4Ge2PbSe8Br2 and Ba4Ge2SnS8Br2: Syntheses, crystal structures, band gaps, and electronic structures

International Nuclear Information System (INIS)

Lin, Zuohong; Feng, Kai; Tu, Heng; Kang, Lei; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng

2014-01-01

Highlights: • Three new chalcohalides: Ba 4 Ge 2 PbS 8 Br 2 , Ba 4 Ge 2 PbSe 8 Br 2 and Ba 4 Ge 2 SnS 8 Br 2 have been synthesized. • The MQ 5 Br octahedra and GeQ 4 tetrahedra form a three-dimensional framework with Ba 2+ in the channels. • Band Gaps and electronic structures of the three compounds were studied. - Abstract: Single crystals of three new chalcohalides: Ba 4 Ge 2 PbS 8 Br 2 , Ba 4 Ge 2 PbSe 8 Br 2 and Ba 4 Ge 2 SnS 8 Br 2 have been synthesized for the first time. These isostructural compounds crystallize in the orthorhombic space group Pnma. In the structure, the tetra-valent Ge atom is tetrahedrally coordinated with four Q (Q = S, Se) atoms, while the bi-valent M atom (M = Pb, Sn) is coordinated with an obviously distorted octahedron of five Q (Q = S, Se) atoms and one Br atom, showing the stereochemical activity of the ns 2 lone pair electron. The MQ 5 Br (M = Sn, Pb; Q = S, Se) distorted octahedra and the GeQ 4 (Q = S, Se) tetrahedra are connected to each other to form a three-dimensional framework with channels occupied by Ba 2+ cations. Based on UV–vis–NIR spectroscopy measurements and the electronic structure calculations, Ba 4 Ge 2 PbS 8 Br 2 , Ba 4 Ge 2 PbSe 8 Br 2 and Ba 4 Ge 2 SnS 8 Br 2 have indirect band gaps of 2.054, 1.952, and 2.066 eV respectively, which are mainly determined by the orbitals from the Ge, M and Q atoms (M = Pb, Sn; Q = S, Se)

Molecular structures of some 8-isoanalogues of steroid estrogens

International Nuclear Information System (INIS)

Starova, G.L.; Eliseev, I.I.; Abusalimov, Sh.N.; Tsogoeva, S.B.; Shavva, A.G.

2001-01-01

The molecular structures of three steroids, namely, 17β-acetoxy-3-methoxy-8-isoestra-1,3,5(10)-triene (I), 17β-acetoxy-3-methoxy-7α-methyl-8-isoestra-1,3,5(10)-triene (II), and 17β-acetoxy-3-methoxy-1-methyl-8-isoestra-1,3,5(10)-triene (III), are determined by X-ray diffraction analysis. It is shown that the substituents in the A and B rings of the compounds of the 8-iso series have a slight effect on the conformation of the steroid skeleton as a whole, which manifests itself only in insignificant distortions of the B and D rings. The methyl group in the 1-position (compound III) affects the geometric parameters of the steroid nucleus less than the same substituent in the 7-position (compound II). A sharp decrease in the uterotropic activity of compounds II and III (compared to compound I) revealed in biological studies can be attributed to unfavorable steric interactions of the substituents in the A and B rings with the estradiol receptor

Synthesis and Properties of Layered-Structured Mn5O8 Nanorods

DEFF Research Database (Denmark)

Gao, Tao; Norby, Poul; Krumeich, Frank

2010-01-01

Mn5O8 nanorods were prepared by a topotactic conversion of γ-MnOOH nanorod precursors in nitrogen at 400 °C. The as-prepared Mn5O8 nanorods crystallized in a monoclinic structure (space group C2/m) with unit cell dimensions a = 10.3784(2) Å, b = 5.7337(7) Å, c = 4.8668(6) Å, and β = 109.491(6)°, ...

Computational methods for molecular structure determination: theory and technique. NRCC Proceedings No. 8

International Nuclear Information System (INIS)

1979-01-01

Goal of this workshop was to provide an introduction to the use of state-of-the-art computer codes for the semi-empirical and ab initio computation of the electronic structure and geometry of small and large molecules. The workshop consisted of 15 lectures on the theoretical foundations of the codes, followed by laboratory sessions which utilized these codes

Adsorption of actinides by chelating agents containing benzene rings, fixed on charcoal

International Nuclear Information System (INIS)

Valentini Ganzerli, M.T.; Crespi Caramella, V.; Maggi, L.

1999-01-01

The focus of this paper is on the analysis of the actinides in the hydrosphere to study their environmental dispersion. The 8-hydroxyquinoline family and the benzohydroxamic acid have a complexing ability towards the actinides, even if in different oxidation states. Taking advantage of this ability, their salts with some organic acids or bases were prepared. In this way compounds were obtained easily incorporated into active charcoal. Only a small amount of the prepared adsorber may be equilibrated with large sample volumes. Subsequently it can be recovered by filtration. The adsorbed ions may be then re-dissolved with a small volume of the appropriate eluting solution. The 8-hydroxy-quinolines and the 8-hydroxyquinoline produced salts with the benzilic acid. These compounds similarly behave and show wide adsorption coefficients for solutions of pH higher than 3. The adsorption takes place by means of the formation of a complex of the actinide ion with the hydroxyquinoline moiety and also with the benzilic anion. Provided that the active extracting agent is not dissolved in a medium but fixed into a solid phase, the whole adsorption process may be regarded as a solvent extraction reaction. The benzohydroxamic acid was treated with the diphenylamine or with the tribenzylamine to obtain salts, later adsorbed into the charcoal. The adsorption of actinide ions seems to take place by means of a precipitation mechanism of the actinide ions with the hydroxamate ions for solution of pH higher than 3.5. Also in this case high values were obtained for the distribution coefficients. The actinide ions act similarly in the +4 or +6 oxidation state towards the prepared adsorber series. Therefore, it is possible to use only one adsorber to concentrate all actinides. Methods of analysis of actinides in the environment may be suitably set up and the concentration step based on these new prepared adsorber may improve the whole procedure. (authors)

Radiopharmaceutical chelates and method of external imaging

International Nuclear Information System (INIS)

Loberg, M.D.; Callery, P.S.; Cooper, M.

1977-01-01

A chelate of technetium-99m, cobalt-57, gallium-67, gallium-68, indium-111 or indium-113m and a substituted iminodiacetic acid or an 8-hydroxyquinoline useful as a radiopharmaceutical external imaging agent. The invention also includes preparative methods therefor

Bulletin of Materials Science | Indian Academy of Sciences

Indian Academy of Sciences (India)

Keywords. Ion-imprinted polymers; acrylamide; acrylic acid derivatives; heavy metal ions; 8-hydroxyquinoline. ... method without using metal ion. Characterization of the polymericmaterials was investigated through spectroscopic (FTIR/ATR), thermal (TGA, DSC) and surface (SEM and XRD) analyses. Functional monomers ...

Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening

Energy Technology Data Exchange (ETDEWEB)

McLean, Larry R.; Zhang, Ying; Li, Hua; Li, Ziyu; Lukasczyk, Ulrike; Choi, Yong-Mi; Han, Zuoning; Prisco, Joy; Fordham, Jeremy; Tsay, Joseph T.; Reiling, Stephan; Vaz, Roy J.; Li, Yi; (Sanofi)

2010-10-28

Biochemical and X-ray crystallographic studies confirmed that hydroxyquinoline derivatives identified by virtual screening were actually covalent inhibitors of the MIF tautomerase. Adducts were formed by N-alkylation of the Pro-1 at the catalytic site with a loss of an amino group of the inhibitor.

The Effects of Al and Ti Additions on the Structural Stability, Mechanical and Electronic Properties of D8m-Structured Ta5Si3

Directory of Open Access Journals (Sweden)

Linlin Liu

2016-05-01

Full Text Available In the present study, the influence of substitutional elements (Ti and Al on the structural stability, mechanical properties, electronic properties and Debye temperature of Ta5Si3 with a D8m structure were investigated by first principle calculations. The Ta5Si3 alloyed with Ti and Al shows negative values of formation enthalpies, indicating that these compounds are energetically stable. Based on the values of formation enthalpies, Ti exhibits a preferential occupying the Ta4b site and Al has a strong site preference for the Si8h site. From the values of the bulk modulus (B, shear modulus (G and Young’s modulus (E, we determined that both Ti and Al additions decrease both the shear deformation resistance and the elastic stiffness of D8m structured Ta5Si3. Using the shear modulus/bulk modulus ratio (G/B, Poisson’s ratio (υ and Cauchy’s pressure, the effect of Ti and Al additions on the ductility of D8m-structured Ta5Si3 are explored. The results show that Ti and Al additions reduce the hardness, resulting in solid solution softening, but improve the ductility of D8m-structured Ta5Si3. The electronic calculations reveal that Ti and Al additions change hybridization between Ta-Si and Si-Si atoms for the binary D8m-structured Ta5Si3. The new Ta-Al bond is weaker than the Ta-Si covalent bonds, reducing the covalent property of bonding in D8m-structured Ta5Si3, while the new strong Ti4b-Ti4b anti-bonding enhances the metallic behavior of the binary D8m-structured Ta5Si3. The change in the nature of bonding can well explain the improved ductility of D8m-structured Ta5Si3 doped by Ti and Al. Moreover, the Debye temperatures, ΘD, of D8m-structured Ta5Si3 alloying with Ti and Al are decreased as compared to the binary Ta5Si3.

Increased cathode performance using a thin film LSM layer on a structured 8YSZ electrolyte surface

Energy Technology Data Exchange (ETDEWEB)

Herbstritt, D.; Weber, A.; Ivers-Tiffee, E. [Karlsruhe Univ. (T.H.) (DE). Inst. fuer Werkstoffkunde der Elektrotechnik (IWE); Guntow, U.; Mueller, G. [Fraunhofer-Institut fuer Silicatforschung (ISC), Wuerzburg (Germany)

2000-07-01

A considerable part of the power losses in a SOFC single cell occurs due to the polarization resistance of the cathode/electrolyte interface. The resulting high cathodic overvoltage corresponds to an enhanced degradation of the cell. In case of a screen printed LSM cathode layer (LSM: La{sub 1-x}Sr{sub x}MnO{sub 3}) on a YSZ electrolyte substrate (YSZ: Y{sub 2}O{sub 3} stabilised ZrO{sub 2}) the cathodic reaction is generally assumed to be restricted to the three phase boundary (tpb) between cathode, oxidant and the electrolyte surface. The electrochemical active area was increased by a modification of the cathode/electrolyte interface. Single cells with a thin film LSM layer on a structured 8YSZ electrolyte showed a power output of about 0.95 W/cm{sup 2} at 0.7 V cell voltage (950 C; oxidant: air, 0.7 1/min; fuel: hydrogen, 0.5 1/min, 15% fuel utilization). (orig.)

8OCB and 8CB Liquid Crystals Confined in Nanoporous Alumina: Effect of Confinement on the Structure and Dynamics.

Science.gov (United States)

Selevou, Aristoula; Papamokos, George; Steinhart, Martin; Floudas, George

2017-08-03

The effect of oxygen substitution is studied in two homologous compounds of n-cyanobiphenyls with n = 8 in the bulk and under confinement within self-ordered nanoporous alumina (AAO). Oxygen substitution in 8OCB increases the dipole moment and stabilizes the crystalline, smectic, and nematic phases to higher temperatures relative to 8CB. Within their smectic- A (SmA) phase both 8CB and 8OCB behave as weak viscoelastic solids with low shear moduli reflecting the underlying supramolecular defect structure. Dielectric spectroscopy assisted by DFT calculations identified strong dipolar associations within the isotropic phases characterized by a Kirkwood-Fröhlich interaction parameter, g ∼ 0.36. Dielectric spectroscopy further identified a slow process (∼ kHz) of low dielectric strength. The proximity of this process to the rheology time scale suggests as common origin a cooperative relaxation of the defect structure. Confinement alters the phase diagram by stabilizing certain crystalline phases and by reducing the N-I transition temperature in agreement with surface tension effects. However, the N-I transition seems to retain its first order character. Surface treatment with n-decyltrichlorosilane results in destabilization of the SmA phase at the expense of the N phase. This is consistent with a picture of surface anchored LC molecules at the pore walls that stabilize the nematic phase.

Consumer's Guide to the economics of electric-utility ratemaking

Energy Technology Data Exchange (ETDEWEB)

1980-05-01

This guide deals primarily with the economics of electric utilities, although certain legal and organizational aspects of utilities are discussed. Each of the seven chapters addresses a particular facet of public-utility ratemaking. Chapter One contains a discussion of the evolution of the public-utility concept, as well as the legal and economic justification for public utilities. The second chapter sets forth an analytical economic model which provides the basis for the next four chapters. These chapters contain a detailed examination of total operating costs, the rate base, the rate of return, and the rate structure. The final chapter discusses a number of current issues regarding electric utilities, mainly factors related to fuel-adjustment costs, advertising, taxes, construction work in progress, and lifeline rates. Some of the examples used in the Guide are from particular states, such as Illinois and California. These examples are used to illustrate specific points. Consumers in other states can generalize them to their states and not change the meaning or significance of the points. 27 references, 8 tables.

Resonance Assignments and Secondary Structure Analysis of Dynein Light Chain 8 by Magic-angle Spinning NMR Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sun, Shangjin; Butterworth, Andrew H.; Paramasivam, Sivakumar; Yan, Si; Lightcap, Christine M.; Williams, John C.; Polenova, Tatyana E.

2011-08-04

Dynein light chain LC8 is the smallest subunit of the dynein motor complex and has been shown to play important roles in both dynein-dependent and dynein-independent physiological functions via its interaction with a number of its binding partners. It has also been linked to pathogenesis including roles in viral infections and tumorigenesis. Structural information for LC8-target proteins is critical to understanding the underlying function of LC8 in these complexes. However, some LC8-target interactions are not amenable to structural characterization by conventional structural biology techniques owing to their large size, low solubility, and crystallization difficulties. Here, we report magic-angle spinning (MAS) NMR studies of the homodimeric apo-LC8 protein as a first effort in addressing more complex, multi-partner, LC8-based protein assemblies. We have established site-specific backbone and side-chain resonance assignments for the majority of the residues of LC8, and show TALOS+-predicted torsion angles ø and ψ in close agreement with most residues in the published LC8 crystal structure. Data obtained through these studies will provide the first step toward using MAS NMR to examine the LC8 structure, which will eventually be used to investigate protein–protein interactions in larger systems that cannot be determined by conventional structural studies.

Using an SU-8 Photoresist Structure and Cytochrome C Thin Film Sensing Material for a Microbolometer

Directory of Open Access Journals (Sweden)

Guo-Dung John Su

2012-11-01

Full Text Available There are two critical parameters for microbolometers: the temperature coefficient of resistance (TCR of the sensing material, and the thermal conductance of the insulation structure. Cytochrome c protein, having a high TCR, is a good candidate for infrared detection. We can use SU-8 photoresist for the thermal insulation structure, given its low thermal conductance. In this study, we designed a platform structure based on a SU-8 photoresist. We fabricated an infrared sensing pixel and recorded a high TCR for this new structure. The SU-8 photoresist insulation structure was fabricated using the exposure dose method. We experimentally demonstrated high values of TCR from 22%/K to 25.7%/K, and the measured noise was 1.2 × 10–8 V2/Hz at 60 Hz. When the bias current was 2 μA, the calculated voltage responsivity was 1.16 × 105 V/W. This study presents a new kind of microbolometer based on cytochrome c protein on top of an SU-8 photoresist platform that does not require expensive vacuum deposition equipment.

[Multiplayer white organic light-emitting diodes with different order and thickness of emission layers].

Science.gov (United States)

Xu, Wei; Lu, Fu-Han; Cao, Jin; Zhu, Wen-Qing; Jiang, Xue-Yin; Zhang, Zhi-Lin; Xu, Shao-Hong

2008-02-01

In multilayer OLED devices, the order and thickness of the emission layers have great effect on their spectrum. Based on the three basic colours of red, blue and green, a series of white organic light-emitting diodes(WOLEDS)with the structure of ITO/CuPc(12 nm)/NPB(50 nm)/EML/LiF(1 nm)/Al(100 nm) and a variety of emission layer's orders and thicknesses were fabricated. The blue emission material: 2-t-butyl-9,10-di-(2-naphthyl)anthracene (TBADN) doped with p-bis(p-N, N-diphenyl-amono-styryl)benzene(DSA-Ph), the green emission material: tris-[8-hydroxyquinoline]aluminum(Alq3) doped with C545, and the red emission material: tris-[8-hydroxyquinoline]aluminum( Alq3) doped with 4-(dicyanomethylene)-2-t-butyl-6-(1, 1, 7, 7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) were used. By adjusting the order and thickness of each emission layer in the RBG structure, we got a white OLED with current efficiency of 5.60 cd x A(-1) and Commission Internationale De L'Eclairage (CIE) coordinates of (0. 34, 0.34) at 200 mA x cm(-2). Its maximum luminance reached 20 700 cd x m(-2) at current density of 400 mA x cm(-2). The results were analyzed on the basis of the theory of excitons' generation and diffusion. According to the theory, an equation was set up which relates EL spectra to the luminance efficiency, the thickness of each layer and the exciton diffusion length. In addition, in RBG structure with different thickness of red layer, the ratio of th e spectral intensity of red to that of blue was calculated. It was found that the experimental results are in agreement with the theoretical values.

Insights Into the Solution Crystallization of Oriented Alq3 and Znq2 Microprisms and Nanorods.

Science.gov (United States)

Boulet, Joel; Mohammadpour, Arash; Shankar, Karthik

2015-09-01

Optimized solution-based methods to grow high quality micro- and nanocrystals of organic semi-conductors with defined size, shape and orientation are important to a variety of optoelectronic applications. In this context, we report the growth of single crystal micro- and nanostructures of the organic semiconductors Tris(8-hydroxyquinoline)aluminum (Alq3) and bis(8-hydroxyquinoline)zinc (Znq2) terminating in flat crystal planes using a combination of evaporative and antisolvent crystallization. By controlling substrate-specific nucleation and optimizing the conditions of growth, we generate vertically-oriented hexagonal prism arrays of Alq3, and vertical half-disks and sharp-edged rectangular prisms of Znq2. The effect of process variables such as ambient vapour pressure, choice of anti-solvent and temperature on the morphology and crystal habit of the nanostructures were studied and the results of varying them catalogued to gain a better understanding of the mechanism of growth.

Improved electron injection into Alq{sub 3} based devices using a thin Erq{sub 3} injection layer

Energy Technology Data Exchange (ETDEWEB)

Shakya, P; Desai, P; Gillin, W P [Department of Physics, Queen Mary, University of London, Mile End Road, London, E1 4NS (United Kingdom); Curry, R J [Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)

2008-04-21

The role of a thin erbium(III) tris(8-hydroxyquinoline) (Erq{sub 3}) interface layer on the electron injection into aluminium(III) tris(8-hydroxyquinoline) (Alq{sub 3}) based organic light emitting devices (OLEDs) has been investigated. It has been shown that the use of a 40 A interface layer can increase the efficiency of a simple Alq{sub 3} OLED with an Al cathode to a level comparable with other, well established, high-efficiency cathodes such as LiF/Al. We also show that, despite the bulk HOMO and LUMO positions for Erq{sub 3} being little different from those for Alq{sub 3}, the presence of an interfacial layer makes the devices turn-on voltage almost independent of the cathode metal. This is explained by there being a vacuum level shift for Erq{sub 3} which is dependent on the work function of the cathode metal.

The Causal Structure of Utility Conditionals

Science.gov (United States)

Bonnefon, Jean-Francois; Sloman, Steven A.

2013-01-01

The psychology of reasoning is increasingly considering agents' values and preferences, achieving greater integration with judgment and decision making, social cognition, and moral reasoning. Some of this research investigates utility conditionals, ‘"if 'p' then 'q'’" statements where the realization of "p" or "q" or…

Femtosecond fluorescence upconversion spectroscopy of vapor-deposited tris(8-hydroxyquinoline) aluminum films.

NARCIS (Netherlands)

Humbs, W.; Zhang, H.; Glasbeek, M.

2000-01-01

Abstract Vapor-deposited Alq3 is used as the green emitting layer in a class of organic light-emitting diodes. In this paper, the time dependence of the fluorescence from thin Alq3 films has been studied by means of the femtosecond fluorescence upconversion technique. From the temporally resolved

Structure of the Regulator of G Protein Signaling 8 (RGS8)-Gαq Complex: MOLECULAR BASIS FOR Gα SELECTIVITY.

Science.gov (United States)

Taylor, Veronica G; Bommarito, Paige A; Tesmer, John J G

2016-03-04

Regulator of G protein signaling (RGS) proteins interact with activated Gα subunits via their RGS domains and accelerate the hydrolysis of GTP. Although the R4 subfamily of RGS proteins generally accepts both Gαi/o and Gαq/11 subunits as substrates, the R7 and R12 subfamilies select against Gαq/11. In contrast, only one RGS protein, RGS2, is known to be selective for Gαq/11. The molecular basis for this selectivity is not clear. Previously, the crystal structure of RGS2 in complex with Gαq revealed a non-canonical interaction that could be due to interfacial differences imposed by RGS2, the Gα subunit, or both. To resolve this ambiguity, the 2.6 Å crystal structure of RGS8, an R4 subfamily member, was determined in complex with Gαq. RGS8 adopts the same pose on Gαq as it does when bound to Gαi3, indicating that the non-canonical interaction of RGS2 with Gαq is due to unique features of RGS2. Based on the RGS8-Gαq structure, residues in RGS8 that contact a unique α-helical domain loop of Gαq were converted to those typically found in R12 subfamily members, and the reverse substitutions were introduced into RGS10, an R12 subfamily member. Although these substitutions perturbed their ability to stimulate GTP hydrolysis, they did not reverse selectivity. Instead, selectivity for Gαq seems more likely determined by whether strong contacts can be maintained between α6 of the RGS domain and Switch III of Gαq, regions of high sequence and conformational diversity in both protein families. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Structural Quality and Utilization of Outpatient Curative Care Under Family Medicine Scheme in Rural Area of Mazandaran– Iran

Directory of Open Access Journals (Sweden)

Samad Rouhani

2013-09-01

Full Text Available Background & purpose: Since 2005, a reform known as Rural Insurance and Family Medicine Scheme has introduced to primary health care network in Iran in rural areas and small towns. The content of the reform implies a substantial change in those aspects of health centers that mainly could be categorized as structural quality. Although, this is the requirement of all health care providers, they are not identical in those items. In this article, we have tried to report the relation between structural quality of health centers and utilization of curative care in Mazandran province. Materials & Methods: This was a cross-sectional study conducted in 2013. Secondary and routinely collected data was used to answer the research questions. The source of original data was provincial health authority’s data set. A check list containing pre-identified variables was used to extract the data. Using SPSS software package, regression analysis was run to measure the role of different independent variable on dependent variable. Results: There were 215 rural health centers affiliated to 16 cities or small towns that the reform has taken place. The outreach area population of these health centers was 1ˏ330ˏ212 of which 834ˏ189 (62.71% were covered by rural insurance solely. Health centers are not identical in terms of the characteristics of health centers and their utilization. Among the variables with significant impact on the utilization of outpatient care, except for number of physician in each health centre and existence of state owned pharmacy that were found in some health centers, the rest of variables had significant positive impact on the demand for physician visit. Conclusion: Structural quality has significant impact on the utilization of curative care of primary healthcare units at rural area in Iran. The reform seems well targeted the quality improvement and utilization of effective primary health care.

Utilization of structural steel in buildings.

Science.gov (United States)

Moynihan, Muiris C; Allwood, Julian M

2014-08-08

Over one-quarter of steel produced annually is used in the construction of buildings. Making this steel causes carbon dioxide emissions, which climate change experts recommend be reduced by half in the next 37 years. One option to achieve this is to design and build more efficiently, still delivering the same service from buildings but using less steel to do so. To estimate how much steel could be saved from this option, 23 steel-framed building designs are studied, sourced from leading UK engineering firms. The utilization of each beam is found and buildings are analysed to find patterns. The results for over 10 000 beams show that average utilization is below 50% of their capacity. The primary reason for this low value is 'rationalization'-providing extra material to reduce labour costs. By designing for minimum material rather than minimum cost, steel use in buildings could be drastically reduced, leading to an equivalent reduction in 'embodied' carbon emissions.

Untitled

Indian Academy of Sciences (India)

Enhancement of analytical sensitivity by single chemical amplification reaction. Direct chemical amplification reactions are rare. Many of the indirect chemical amplifications quoted in the literature are specific. Only those based on precipitation of metals with 8-hydroxyquinoline and determination of the precipitate by titration ...

Separating positive and negative magnetoresistance in organic semiconductor devices

NARCIS (Netherlands)

Bloom, F.L.; Wagemans, W.; Kemerink, M.; Koopmans, B.

2007-01-01

We study the transition between positive and negative organic magnetoresistance (OMAR) in tris-(8 hydroxyquinoline) aluminium (Alq3), in order to identify the elementary mechanisms governing this phenomenon. We show how the sign of OMAR changes as function of the applied voltage and temperature. The

The factor structure and clinical utility of formal thought disorder in first episode psychosis.

Science.gov (United States)

Roche, Eric; Lyne, John Paul; O'Donoghue, Brian; Segurado, Ricardo; Kinsella, Anthony; Hannigan, Ailish; Kelly, Brendan D; Malone, Kevin; Clarke, Mary

2015-10-01

Formal thought disorder (FTD) is a core feature of psychosis, however there are gaps in our knowledge about its prevalence and factor structure. We had two aims: first, to establish the factor structure of FTD; second, to explore the clinical utility of dimensions of FTD in order to further the understanding of its nosology. A cross-validation study was undertaken to establish the factor structure of FTD in first episode psychosis (FEP). The relative utility of FTD categories vs. dimensions across diagnostic categories was investigated. The prevalence of clinically significant FTD in this FEP sample was 21%, although 41% showed evidence of disorganised speech, 20% displayed verbosity and 24% displayed impoverished speech. A 3-factor model was identified as the best fit for FTD, with disorganisation, poverty and verbosity dimensions (GFI=0.99, RMR=0.07). These dimensions of FTD accurately distinguished affective from non-affective diagnostic categories. A categorical approach to FTD assessment was useful in identifying markers of clinical acuteness, as identified by short duration of untreated psychosis (OR=2.94, P<0.01) and inpatient treatment status (OR=3.98, P<0.01). FTD is moderately prevalent and multi-dimensional in FEP. Employing both a dimensional and categorical assessment of FTD gives valuable clinical information, however there may be a need to revise our conceptualisation of the nosology of FTD. The prognostic value of FTD, as well as its neural basis, requires elucidation. Copyright © 2015 Elsevier B.V. All rights reserved.

Primary and secondary structure of U8 small nuclear RNA

International Nuclear Information System (INIS)

Reddy, R.; Henning, D.; Busch, H.

1985-01-01

U8 small nuclear RNA is a new, capped, 140 nucleotides long RNA species found in Novikoff hepatoma cells. Its sequence is: m3GpppAmUmCGUCAGGA GGUUAAUCCU UACCUGUCCC UCCUUUCGGA GGGCAGAUAG AAAAUGAUGA UUGGAGCUUG CAUGAUCUGC UGAUUAUAGC AUUUCCGUGU AAUCAGGACC UGACAACAUC CUGAUUGCUU CUAUCUGAUUOH. This RNA is present in approximately 25,000 copies/cell, and it is enriched in nucleolar preparations. Like U1, U2, U4/U6, and U5 RNAs, U8 RNA was also present as a ribonucleoprotein associated with the Sm antigen. The rat U8 RNA was highly homologous (greater than 90%) to a recently characterized 5.4 S RNA from mouse cells infected with spleen focus-forming virus. In addition to the U8 RNA, three other U small nuclear RNAs were found in anti-Sm antibody immunoprecipitates from labeled rat and HeLa cells. Each of these contained a m3GpppAm cap structure; their apparent chain lengths were 60, 130, and 65 nucleotides. These U small nuclear RNAs are designated U7, U9, and U10 RNAs, respectively

ASCE application guide for recommended practice for fiber-reinforced polymer products for overhead utility line structures

Energy Technology Data Exchange (ETDEWEB)

Gnandt, E. [T and D High Voltage Consulting, Vancouver, BC (Canada)

2002-07-01

The participants to the American Society of Civil Engineers (ASCE) prepared an application guide to provide guidelines to utilities and manufacturers on topics ranging from design to manufacture, testing and installation of fiber-reinforced polymer (FRP) products. The intent was also to help utilities with a possible replacement material for wood, steel and pre-stressed concrete. FRP products are constructed from fiber and resin and offer several advantages such as light weight and high strength-to-weight ratio, low maintenance, dimensional stability, resistance to rot, corrosion, chemicals and pest damage. FRP products can be used for lighting poles, ladders and grating, transformer pads, pole line hardware and crossarms, and other applications. There are five structural configurations: (1) cantilevered structures (single pole), (2) guyed structures, framed structures (H-Frame), (4) a combination of (1), (2), and (3), and (5) lattice structures (transmission class). The author listed some of the initial considerations: physical characteristics, guying and grounding, deflection and load testing, attached items, and durability to name only a few. The materials and manufacturing processes were briefly explained, namely the pultrusion method, the filament winding method, and the centrifugal casting method. Design loads considerations are discussed, as are performance-based criteria such as mechanical, coating durability and electrical. Quality control, assembly erection and storage, and in-service considerations are also discussed. The author concluded the presentation with a section dealing with field inspections. figs.

THE UTILIZATION STRUCTURE OF THERMAL WATER WELLS AND ITS UNEXPLOITED CAPACITIES IN HUNGARY

Directory of Open Access Journals (Sweden)

BALÁZS KULCSÁR

2014-12-01

Full Text Available In order to mitigate Hungary’s vulnerability in energy supply and accomplish the renewable energy production targets, it is essential to discover exploitable alternative opportunities for energy production and step up the utilization of the available capacities. The purpose of this publication is to map up the utilization structure of the existing Hungarian thermal water wells, describe its changes over the past 16 years, reveal the associated reasons and define the unutilized well capacities that may contribute to increasing the exploitation of geothermal heat by municipalities. The studies have been conducted in view of the Cadaster of Thermal Water Wells of Hungary compiled in 1994, the well cadasters kept by the regional water management directorates, as well as the data of the digital thermal water cadaster of 2010. The calculations performed for the evaluation of data have been based on the ratios and respective utilization areas of the existing wells. In the past 150 years, nearly 1500 thermal water wells have been drilled for use by a broad range of economic operations. The principal goals of constructing thermal water wells encompass the use of water in balneology, water and heat supply to the agriculture, hydrocarbon research and the satisfaction of municipal water demands. In 1994, 26% of the facilities was operated as baths, 21% was used by agriculture, while 13% and 12% served communal and waterworks supply, respectively. Then in 2010, 31% of thermal water wells was continued to be used for the water supply of bathing establishments, followed by 20% for agricultural use, 19% for utilization by waterworks, 11% for observation purposes and 10% for communal use. During the 16 years between 1994 and 2010, the priorities of utilization often changed, new demands emerged in addition to the former utilization goals of thermal water wells. The economic landscape and changes in consumer habits have transformed the group of consumers, which

Urban water infrastructure asset management - a structured approach in four water utilities.

Science.gov (United States)

Cardoso, M A; Silva, M Santos; Coelho, S T; Almeida, M C; Covas, D I C

2012-01-01

Water services are a strategic sector of large social and economic relevance. It is therefore essential that they are managed rationally and efficiently. Advanced water supply and wastewater infrastructure asset management (IAM) is key in achieving adequate levels of service in the future, particularly with regard to reliable and high quality drinking water supply, prevention of urban flooding, efficient use of natural resources and prevention of pollution. This paper presents a methodology for supporting the development of urban water IAM, developed during the AWARE-P project as well as an appraisal of its implementation in four water utilities. Both water supply and wastewater systems were considered. Due to the different contexts and features of the utilities, the main concerns vary from case to case; some problems essentially are related to performance, others to risk. Cost is a common deciding factor. The paper describes the procedure applied, focusing on the diversity of drivers, constraints, benefits and outcomes. It also points out the main challenges and the results obtained through the implementation of a structured procedure for supporting urban water IAM.

24 CFR 5.632 - Utility reimbursements.

Science.gov (United States)

2010-04-01

... Section 8 Project-Based Assistance Family Payment § 5.632 Utility reimbursements. (a) Applicability. This... the utility supplier to pay the utility bill on behalf of the family. If the PHA elects to pay the utility supplier, the PHA must notify the family of the amount paid to the utility supplier. (3) In the...

Effects of morphological control on the characteristics of vertical-type OTFTs using Alq3.

Science.gov (United States)

Kim, Young Do; Park, Jong Wook; Kang, In Nam; Oh, Se Young

2008-09-01

We have fabricated vertical-type organic thin-film transistors (OTFTs) using tris-(8-hydroxyquinoline) aluminum (Alq(3)) as an n-type active material. Vertical-type OTFT using Alq(3) has a layered structure of Al(source electrode)/Alq(3)(active layer)/Al(gate electrode)/Alq(3)(active layer)/ITO glass(drain electrode). Alq(3) thin films containing various surface morphologies could be obtained by the control of evaporation rate and substrate temperature. The effects of the morphological control of Alq(3) thin layer on the grain size and the flatness of film surface were investigated. The characteristics of vertical-type OTFT significantly influenced the growth condition of Alq(3) layer.

The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi's Sarcoma-Associated Herpesvirus

Energy Technology Data Exchange (ETDEWEB)

Baltz, Jennifer L.; Filman, David J.; Ciustea, Mihai; Silverman, Janice Elaine Y.; Lautenschlager, Catherine L.; Coen, Donald M.; Ricciardi, Robert P.; Hogle, James M.; (UPENN)

2009-12-01

Kaposi's sarcoma-associated herpesvirus is an emerging pathogen whose mechanism of replication is poorly understood. PF-8, the presumed processivity factor of Kaposi's sarcoma-associated herpesvirus DNA polymerase, acts in combination with the catalytic subunit, Pol-8, to synthesize viral DNA. We have solved the crystal structure of residues 1 to 304 of PF-8 at a resolution of 2.8 {angstrom}. This structure reveals that each monomer of PF-8 shares a fold common to processivity factors. Like human cytomegalovirus UL44, PF-8 forms a head-to-head dimer in the form of a C clamp, with its concave face containing a number of basic residues that are predicted to be important for DNA binding. However, there are several differences with related proteins, especially in loops that extend from each monomer into the center of the C clamp and in the loops that connect the two subdomains of each protein, which may be important for determining PF-8's mode of binding to DNA and to Pol-8. Using the crystal structures of PF-8, the herpes simplex virus catalytic subunit, and RB69 bacteriophage DNA polymerase in complex with DNA and initial experiments testing the effects of inhibition of PF-8-stimulated DNA synthesis by peptides derived from Pol-8, we suggest a model for how PF-8 might form a ternary complex with Pol-8 and DNA. The structure and the model suggest interesting similarities and differences in how PF-8 functions relative to structurally similar proteins.

Irreversible Change of the Pore Structure of ZIF-8 in Carbon Dioxide Capture with Water Coexistence

DEFF Research Database (Denmark)

Liu, Huang; Guo, Ping; Regueira Muñiz, Teresa

2016-01-01

The performance of zeolitic imidazolate framework 8 (ZIF-8) for CO2 capture under three different conditions (wetted ZIF-8, ZIF-8/water slurry, and ZIF-8/water-glycol slurry) was systemically investigated. This investigation included the study of the pore structure stability of ZIF-8 by using X......-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy, and Raman detection technologies. Our results show that the CO2 adsorption ability of ZIF-8 could be substantially increased under the existence of liquid water. However, the structure characterization of the recovered ZIF-8...... showed an irreversible change of its framework, which occurs during the CO2 capture process. It was found that there is an irreversible chemical reaction among ZIF-8, water, and CO2, which creates both zinc carbonate (or zinc carbonate hydroxides) and single 2-methylimidazole crystals, and therefore...

Utilization threshold of surface water and groundwater based on the system optimization of crop planting structure

Directory of Open Access Journals (Sweden)

Qiang FU,Jiahong LI,Tianxiao LI,Dong LIU,Song CUI

2016-09-01

Full Text Available Based on the diversity of the agricultural system, this research calculates the planting structures of rice, maize and soybean considering the optimal economic-social-ecological aspects. Then, based on the uncertainty and randomness of the water resources system, the interval two-stage stochastic programming method, which introduces the uncertainty of the interval number, is used to calculate the groundwater exploitation and the use efficiency of surface water. The method considers the minimum cost of water as the objective of the uncertainty model for surface water and groundwater joint scheduling optimization for different planting structures. Finally, by calculating harmonious entropy, the optimal exploitation utilization interval of surface water and groundwater is determined for optimal cultivation in the Sanjiang Plain. The optimal matching of the planting structure under the economic system is suitable when the mining ratio of the surface is in 44.13%—45.45% and the exploitation utilization of groundwater is in 54.82%—66.86%, the optimal planting structure under the social system is suitable when surface water mining ratio is in 47.84%—48.04% and the groundwater exploitation threshold is in 67.07%—72.00%. This article optimizes the economic-social-ecological-water system, which is important for the development of a water- and food-conserving society and providing a more accurate management environment.

Generation and decay dynamics of triplet excitons in Alq3 thin films under high-density excitation conditions.

Science.gov (United States)

Watanabe, Sadayuki; Furube, Akihiro; Katoh, Ryuzi

2006-08-31

We studied the generation and decay dynamics of triplet excitons in tris-(8-hydroxyquinoline) aluminum (Alq3) thin films by using transient absorption spectroscopy. Absorption spectra of both singlet and triplet excitons in the film were identified by comparison with transient absorption spectra of the ligand molecule (8-hydroxyquinoline) itself and the excited triplet state in solution previously reported. By measuring the excitation light intensity dependence of the absorption, we found that exciton annihilation dominated under high-density excitation conditions. Annihilation rate constants were estimated to be gammaSS = (6 +/- 3) x 10(-11) cm3 s(-1) for single excitons and gammaTT = (4 +/- 2) x 10(-13) cm3 s(-1) for triplet excitons. From detailed analysis of the light intensity dependence of the quantum yield of triplet excitons under high-density conditions, triplet excitons were mainly generated through fission from highly excited singlet states populated by singlet-singlet exciton annihilation. We estimated that 30% of the highly excited states underwent fission.

The structural, electronic and magnetic properties of Ga{sub 8−x}Mn{sub x}As{sub 8} clusters

Energy Technology Data Exchange (ETDEWEB)

Gu, Gangxu [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Xiang, Gang, E-mail: gxiang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Luo, Jia; Tang, Zhijie [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Zhang, Xi, E-mail: xizhang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China)

2015-06-15

We systematically investigate the ground-state magnetic properties of Ga{sub 8−x}Mn{sub x}As{sub 8} clusters (x=0, 2, 4, 6, and 8) within the framework of density functional theory (DFT) using a strategy that successively adopts the particle swarm optimization (CALYPSO) code and fixed spin-moment (FSM) method. The results show that for Ga{sub 8−x}Mn{sub x}As{sub 8} in the ground states or low-lying isomers, Mn atoms tend to assemble at the core of the clusters and the ferrimagnetic Mn–Mn couplings are identified for Ga{sub 8−x}Mn{sub x}As{sub 8} (x=4, 6, and 8), while Ga{sub 8}As{sub 8} and Ga{sub 6}Mn{sub 2}As{sub 8} are nonmagnetic. The possibility of multiple ground states of Ga{sub 8−x}Mn{sub x}As{sub 8} (x=4, 6, and 8) is also demonstrated. The binding energy and LUMO–HOMO gap analysis show that Ga{sub 8−x}Mn{sub x}As{sub 8} clusters with large x are more likely synthesized and exhibit stronger chemical reactivity. - Highlights: • The ground-state structural and magnetic configurations of Ga{sub 8-x}Mn{sub x}As{sub 8} clusters are predicted by using the particle swarm optimization (CALYPSO) code and fixed spin-moment method. • For the ground state and low-lying isomers of Ga{sub 8−x}Mn{sub x}As{sub 8} clusters, Mn atoms are gathered at the core of cluster, and ferrimagnetic Mn–Mn coupling is found. • Ga{sub 8−x}Mn{sub x}As{sub 8} with large x is more likely formed and reacts with each other to create larger clusters.

In situ deposition of poly(1,8-diaminonaphthalene): from thin films to nanometer-sized structures

International Nuclear Information System (INIS)

Tagowska, Magdalena; PaIys, Barbara; Mazur, Maciej; Skompska, Magdalena; Jackowska, Krystyna

2005-01-01

Chemical in situ deposition of poly(1,8-diaminonaphthalene) (p(1,8-DAN)) on conductive supports in aqueous and acetonitrile solutions was investigated using electrochemical quartz crystal microbalance (EQCM) and UV-vis spectroscopy. The resulting deposits were examined by the means of cyclic voltammetry (CV), FT-IR and Raman spectroscopy. P(1,8-DAN) was also deposited via chemical polymerization onto a porous polycarbonate membrane (PC) which served as a template for synthesis of nanometer-sized structures. The deposits of p(1,8-DAN) on PC substrate were imaged by atomic force microscopy (AFM) and the nanostructures obtained by dissolution of the template were visualized by scanning electron microscopy (SEM). The EQCM and UV-vis studies indicated that the polymer is formed both on the surface of the substrate and in the bulk of the polymerization solution. However, polymerization of 1,8-DAN in solution is delayed in comparison with deposition on the substrate. Electrochemical and spectroscopic properties of p(1,8-DAN) formed chemically closely resemble the properties of the electrosynthesized polymer. Furthermore, SEM images of p(1,8-DAN) nanostructures revealed that the polymer nanowires are formed in aqueous solutions, whereas two types of structures: nanowires and round shaped structures, not fitting to the pore size, can be obtained by chemical polymerization in the acetonitrile medium

Electric utility companies and geothermal power

Science.gov (United States)

Pivirotto, D. S.

1976-01-01

The requirements of the electric utility industry as the primary potential market for geothermal energy are analyzed, based on a series of structured interviews with utility companies and financial institution executives. The interviews were designed to determine what information and technologies would be required before utilities would make investment decisions in favor of geothermal energy, the time frame in which the information and technologies would have to be available, and the influence of the governmental politics. The paper describes the geothermal resources, electric utility industry, its structure, the forces influencing utility companies, and their relationship to geothermal energy. A strategy for federal stimulation of utility investment in geothermal energy is suggested. Possibilities are discussed for stimulating utility investment through financial incentives, amelioration of institutional barriers, and technological improvements.

Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons

International Nuclear Information System (INIS)

Kumar, V.

1992-10-01

From studies on some clusters of metals and semiconductors, there appear some similarities in the structure of clusters with a given number of atoms and having the number of valence electrons corresponding to a shell closing. Here we present results of the atomic and electronic structure of a few other clusters with 20 and 40 valence electrons, namely Sb 4 , Sn 5 and Sb 8 using the density functional molecular dynamics method. We suggest that the similarities in the structure and deviation from them may help to understand bonding characteristics in clusters and its evolution to bulk behaviour. Our results on Sb 8 cluster are preliminary but indicate that above room temperature its structure is two weakly interacting tetrahedra which is in general agreement with the observation of predominently antimony tetramers at T > 300 K. (author). 16 refs, 2 figs

Individual and structural environmental influences on utilization of iron and folic acid supplementation among pregnant women in Harare, Zimbabwe.

Science.gov (United States)

Tinago, Chiwoneso B; Annang Ingram, Lucy; Blake, Christine E; Frongillo, Edward A

2017-07-01

Micronutrient deficiencies are prevalent among Zimbabweans with serious health and social implications. Due to a lack of a national micronutrient food fortification policy, the Zimbabwe Ministry of Health and Child Care established a policy for the prevention of maternal micronutrient deficiencies, which centres on pregnant women receiving daily iron and folic acid (IFA) at their first antenatal care visit and throughout pregnancy. Despite these efforts, utilization of IFA supplementation in pregnancy in Zimbabwe is low. This study aimed to understand the experiences and knowledge of IFA supplementation among pregnant women and healthcare workers in Harare, Zimbabwe, and the influence of health-service and social environments on utilization. Semi-structured in-depth interviews were conducted in Shona and English, with pregnant women (n = 24) and healthcare workers (n = 14) providing direct antenatal care services to pregnant women in two high-density community clinics. Data were analysed thematically using NVivo 10. Influences on utilization were at the individual and structural environmental levels. Reasons for low utilization of IFA supplementation included forgetting to take IFA, side effects, misconceptions about IFA, limited access to nutrition information, delayed entry or non-uptake of antenatal care and social norms of pregnant women for IFA supplementation. Utilization was enhanced by knowledge of risks and benefits of supplementation, fear of negative health complications with non-utilization, family support and healthcare worker recommendation for supplementation. Study findings can inform approaches to strengthen micronutrient supplementation utilization to improve the micronutrient status of pregnant women to decrease maternal mortality and improve overall maternal and child health in Zimbabwe. © 2016 John Wiley & Sons Ltd. © 2016 John Wiley & Sons Ltd.

Structural phase transitions in BaMo6S8: Evidence for an incommensurate phase

International Nuclear Information System (INIS)

Jorgensen, J.D.; Hinks, D.G.; Hatch, D.M.; Putnam, R.M.

1986-01-01

The structure of BaMo 6 S 8 has been studied over the temperature range 19 K to 573 K by time-of-flight neutron powder diffraction. Below 175 K the data can be suitably refined in a triclinic, P1, cell with volume equal to the rhombohedral, R3, cell common to most Chevrel-phase structures. At temperatures immediately above 175 K, the rhombohedral, R3, Bragg peaks are broadened by satellite reflections which appear to be identical to those recently observed at low temperature in PbMo 6 S 8 and SnMo 6 S 8 . An abrupt change in the sign of the temperature dependence of the hexagonal c axis (∂c/∂T) signals the transition to an undistorted rhombohedral, R3, structure at temperatures above about 350 K. An extended Landau theory determines both continuous and discontinuous transitions from R3 induced by a single order parameter. Analysis of the order parameters inducing commensurate transitions imposes symmetry restrictions on the atomic displacements in the lower symmetry phases. The assumption of an R3 commensurate phase is not consistent with the bond lengths obtained for the distortions to the P1 (or P1) phase for any of the possible cells preserving order parameters. Thus the phase immediately above 175 K cannot be a commensurate R3 structure. This is consistent with experimental evidence. 25 refs., 11 figs., 8 tabs

Structure of TTHA1623, a novel metallo-β-lactamase superfamily protein from Thermus thermophilus HB8

International Nuclear Information System (INIS)

Yamamura, Akihiro; Okada, Akitoshi; Kameda, Yasuhiro; Ohtsuka, Jun; Nakagawa, Noriko; Ebihara, Akio; Nagata, Koji; Tanokura, Masaru

2009-01-01

The crystal structures of TTHA1623 from T. thermophilus HB8 in an iron-bound and a zinc-bound form have been determined to 2.8 and 2.2 Å resolution, respectively. TTHA1623 is a metallo-β-lactamase superfamily protein from the extremely thermophilic bacterium Thermus thermophilus HB8. Homologues of TTHA1623 exist in a wide range of bacteria and archaea and one eukaryote, Giardia lamblia, but their function remains unknown. To analyze the structural properties of TTHA1623, the crystal structures of its iron-bound and zinc-bound forms have been determined to 2.8 and 2.2 Å resolution, respectively. TTHA1623 possesses an αββα-fold similar to that of other metallo-β-lactamase superfamily proteins with glyoxalase II-type metal coordination. However, TTHA1623 exhibits a putative substrate-binding pocket with a unique shape

A Complex Structural Variation on Chromosome 27 Leads to the Ectopic Expression of HOXB8 and the Muffs and Beard Phenotype in Chickens

Science.gov (United States)

Wang, Yanqiang; Luo, Chenglong; Liu, Ranran; Qu, Hao; Shu, Dingming; Wen, Jie; Crooijmans, Richard P. M. A.; Zhao, Yiqiang; Hu, Xiaoxiang; Li, Ning

2016-01-01

Muffs and beard (Mb) is a phenotype in chickens where groups of elongated feathers gather from both sides of the face (muffs) and below the beak (beard). It is an autosomal, incomplete dominant phenotype encoded by the Muffs and beard (Mb) locus. Here we use genome-wide association (GWA) analysis, linkage analysis, Identity-by-Descent (IBD) mapping, array-CGH, genome re-sequencing and expression analysis to show that the Mb allele causing the Mb phenotype is a derived allele where a complex structural variation (SV) on GGA27 leads to an altered expression of the gene HOXB8. This Mb allele was shown to be completely associated with the Mb phenotype in nine other independent Mb chicken breeds. The Mb allele differs from the wild-type mb allele by three duplications, one in tandem and two that are translocated to that of the tandem repeat around 1.70 Mb on GGA27. The duplications contain total seven annotated genes and their expression was tested during distinct stages of Mb morphogenesis. A continuous high ectopic expression of HOXB8 was found in the facial skin of Mb chickens, strongly suggesting that HOXB8 directs this regional feather-development. In conclusion, our results provide an interesting example of how genomic structural rearrangements alter the regulation of genes leading to novel phenotypes. Further, it again illustrates the value of utilizing derived phenotypes in domestic animals to dissect the genetic basis of developmental traits, herein providing novel insights into the likely role of HOXB8 in feather development and differentiation. PMID:27253709

Synthesis, crystal structure and magnetic properties of U2RuGa8

International Nuclear Information System (INIS)

Grin', Yu.N.; Rogl', P.; Aksel'rud, L.G.; Pecharskij, V.K.; Yarmolyuk, Ya.P.

1988-01-01

Synthesis of a new uranium intermetallic compound of U 2 RuGa 8 composition was conducted. The compound crystallizes in Ho 2 CoGa 8 structural type, met earlier only in compounds of rare earths. Magnetic susceptibility of the compound is rather high and is practically independent of temperature in 80-300 K range. This feature is typical for paramagnetism of electron gas and testifies to the absence of localized magnetic moments on ruthenium and uranium atoms

A Simplified Experimental Scheme for the Study of Mitosis.

Science.gov (United States)

Gill, John

1980-01-01

A procedure is described for providing preparations of dividing cells from root apical meristems, requiring only inexpensive equipment and minimal experimental skill, and using 8-Hydroxyquinoline and Toluidene-blue as a chromosome stain. The method has been sucessfully tested in schools and yields permanent preparations of adequate quality for…

Untitled

Indian Academy of Sciences (India)

In vitro antimicrobial-activity studies on the. Imixed ligand complexes of Hg (II) with. 8-hydroxyquinoline and salicylic acids 157. Annuar Bookhari see Magee R J. Aravamuthan S. Determination of nitrobenzidines. Avijit Banerji. 491 ionisation constants of. 311. Reactions of indoles with meruury (II). Salts 247. Bakare P P.

Local structure and disorder in crystalline Pb9Al8O21

International Nuclear Information System (INIS)

Hannon, Alex C.; Barney, Emma R.; Holland, Diane; Knight, Kevin S.

2008-01-01

Crystalline Pb 9 Al 8 O 21 is a model compound for the structure of non-linear optical glasses containing lone-pair ions, and its structure has been investigated by neutron powder diffraction and total scattering, and 27 Al magic angle spinning NMR. Rietveld analysis (space group Pa3-bar (No. 205), a=13.25221(4) A) shows that some of the Pb and O sites have partial occupancies, due to lead volatilisation during sample preparation, and the non-stoichiometric sample composition is Pb 9-δ Al 8 O 21-δ with δ=0.54. The NMR measurements show evidence for a correlation between the chemical shift and the variance of the bond angles at the aluminium sites. The neutron total correlation function shows that the true average Al-O bond length is 0.8% longer than the apparent bond length determined by Rietveld refinement. The thermal variation in bond length is much smaller than the thermal variation in longer interatomic distances determined by Rietveld refinement. The total correlation function is consistent with an interpretation in which AlO 3 groups with an Al-O bond length of 1.651 A occur as a result of the oxygen vacancies in the structure. The width of the tetrahedral Al-O peak in the correlation function for the crystal is very similar to that for lead aluminate glass, indicating that the extent of static disorder is very similar in the two phases. - Graphical abstract: Combined neutron powder diffraction and total scattering, and 27 Al NMR on crystalline Pb 9 Al 8 O 21 shows it to be a non-stoichiometric compound with vacancies due to PbO volatilisation. A detailed consideration of the thermal and static disorder is given, showing that glass and crystal phases have very similar disorder at short range

The shielding performance of multilayer composite shielding structures to 14.8 MeV fast neutrons

International Nuclear Information System (INIS)

Shen Zhiqiang; Kang Qing; Xu Jun; Wang Zhenggang; Lu Nan

2014-01-01

Cement-based round thin-layer samples mixed with 30% quality content of barite, and 20% quality content of carbide boron has Prepared, the same-diameter sliced samples of pure graphite and pure polyethylene has cut, then, samples combination and cross stack order has designed, formed four species Multilayer Composite shield structure, at last, neutron attenuation measurements has been done by experimental system of using 14.8 MeV neutrons from the 5SDH-2 accelerator and long counter composition, penetrating rate of samples and the shield structure to 14.8 MeV fast neutron has tested, and attenuation section has calculated. Results show that 14.8 MeV fast neutrons to higher penetration rates of thin layer samples, attenuation cross section of samples distinguish small between each other, must be increasing the thickness of the samples to reduce the experimental uncertainty; through composed of attenuation cross section and thickness parameters of composite structure, can more accurately predict the shielding ability of composite structures, error between calculation results and experimental results in 4%. (authors)

Organic bistable memory devices based on MoO3 nanoparticle embedded Alq3 structures

Science.gov (United States)

Abhijith, T.; Kumar, T. V. Arun; Reddy, V. S.

2017-03-01

Organic bistable memory devices were fabricated by embedding a thin layer of molybdenum trioxide (MoO3) between two tris-(8-hydroxyquinoline)aluminum (Alq3) layers. The device exhibited excellent switching characteristics with an ON/OFF current ratio of 1.15 × 103 at a read voltage of 1 V. The device showed repeatable write-erase capability and good stability in both the conductance states. These conductance states are non-volatile in nature and can be obtained by applying appropriate voltage pulses. The effect of MoO3 layer thickness and its location in the Alq3 matrix on characteristics of the memory device was investigated. The field emission scanning electron microscopy (FE-SEM) images of the MoO3 layer revealed the presence of isolated nanoparticles. Based on the experimental results, a mechanism has been proposed for explaining the conductance switching of fabricated devices.

Flexible organic light-emitting diodes consisting of a platinum doped indium tin oxide anode

International Nuclear Information System (INIS)

Hsu, C-M; Huang, C-Y; Cheng, H-E; Wu, W-T

2009-01-01

This paper demonstrates that a flexible organic light-emitting diode (OLED) with a platinum (Pt)-doped indium tin oxide (ITO) anode could show superior electro-optical characteristics to those of a conventional device. The threshold voltage and turn-on voltage of an OLED device consisting of an aluminium/lithium fluoride/tris(8-hydroxyquinoline) aluminium/N,N'-bis-(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4, 4'-diamine/Pt-doped ITO/ITO structure were reduced by 1.2 V and 0.8 V, respectively. Current efficiency was found improved for a driving voltage of less than 6.5 V as a result of the enhanced hole-injection rate, attributed mainly to the elevated surface work function and partly reduced surface roughness of ITO by the incorporated Pt atoms in the ITO matrix.

Development of cloud point extraction - UV-visible spectrophotometric method for vanadium (V) determination in hydrogeochemical samples

International Nuclear Information System (INIS)

Durani, Smeer; Mathur, Neerja; Chowdary, G.S.

2007-01-01

The cloud point extraction behavior (CPE) of vanadium (V) using 5,7 dibromo 8-hydroxyquinoline (DBHQ) and triton X 100 was investigated. Vanadium (V) was extracted with 4 ml of 0.5 mg/ml DBHQ and 6 ml of 8% (V/V) triton X 100 at the pH 3.7. A few hydrogeochemical samples were analysed for vanadium using the above method. (author)

The Surface Coating of Commercial LiFePO4 by Utilizing ZIF-8 for High Electrochemical Performance Lithium Ion Battery

Science.gov (United States)

Xu, XiaoLong; Qi, CongYu; Hao, ZhenDong; Wang, Hao; Jiu, JinTing; Liu, JingBing; Yan, Hui; Suganuma, Katsuaki

2018-03-01

The requirement of energy-storage equipment needs to develop the lithium ion battery (LIB) with high electrochemical performance. The surface modification of commercial LiFePO4 (LFP) by utilizing zeolitic imidazolate frameworks-8 (ZIF-8) offers new possibilities for commercial LFP with high electrochemical performances. In this work, the carbonized ZIF-8 (CZIF-8) was coated on the surface of LFP particles by the in situ growth and carbonization of ZIF-8. Transmission electron microscopy indicates that there is an approximate 10 nm coating layer with metal zinc and graphite-like carbon on the surface of LFP/CZIF-8 sample. The N2 adsorption and desorption isotherm suggests that the coating layer has uniform and simple connecting mesopores. As cathode material, LFP/CZIF-8 cathode-active material delivers a discharge specific capacity of 159.3 mAh g-1 at 0.1C and a discharge specific energy of 141.7 mWh g-1 after 200 cycles at 5.0C (the retention rate is approximate 99%). These results are attributed to the synergy improvement of the conductivity, the lithium ion diffusion coefficient, and the degree of freedom for volume change of LFP/CZIF-8 cathode. This work will contribute to the improvement of the cathode materials of commercial LIB.[Figure not available: see fulltext.

Structural evolution of utility systems and its implications for photovoltaic applications

International Nuclear Information System (INIS)

Iannucci, J.J.; Shugar, D.S.

1993-01-01

Photovoltaics (PV) differ substantially from the central generating stations traditionally employed by utilities. PV utilizes a fuel which disappears nightly, operating only while the sun shines. It has the potential of being highly reliable while requiring low levels of operating and maintenance attention, and it can be deployed in a highly modular fashion close to load. It is precisely these differences that give rise to PV's greatest opportunities in successfully entering the utility market. The purpose of this paper is to explore an emerging utility paradigm, the Distributed Utility concept, and how utilities might change their current planning and resource selection processes to take advantage of it, both to the betterment of the PV industry and the utility's customers. Out of this exploration emerges the photovoltaics Diffusion Model strategy that bridges the gap from currently economic stand-alone special applications of PV in utility operations to bulk power production. (author). 12 refs, 5 figs

8th international conference on electronic spectroscopy and structure

Energy Technology Data Exchange (ETDEWEB)

Robinson, Art

2000-10-16

Gathering from 33 countries around the world, 408 registrants and a number of local drop-in participants descended on the Clark Kerr Campus of the University of California, Berkeley, from Monday, August 7 through Saturday, August 12, 2000 for the Eighth International Conference on Electronic Structure and Spectroscopy (ICESS8). At the conference, participants benefited from an extensive scientific program comprising more than 100 oral presentations (plenary lectures and invited and contributed talks) and 330 poster presentations, as well as ample time for socializing and a tour of the Advanced Light Source (ALS) at the nearby Lawrence Berkeley National Laboratory.

Ab initio investigation of thermodynamic stability and structure of cell molecules B3N4H8 and Be4O4H8

International Nuclear Information System (INIS)

Minyaev, R.M.

2000-01-01

Ab initio calculation methods (RHF/6-31G, MP2(full)/6-31G and MP2(full)/6-311++G) ) are used to investigate thermodynamic stability, energy and structural characteristics of different position isomers of isoelectron B 3 N 4 H 8 (1) and Be 4 O 4 H 8 (2) systems with cubane structure. High thermodynamic stability of these system is shown. Decomposition of structure (1) into two 1,3,2,4-diazadiborethidine molecules or four molecules of iminoborane HBNH is an endothermal process and needs 10.1 (RHF/6-31G), 39/6 (MP2(full)/6-31G) Cal/mol and 140.6 (RHF/6-31G), 161.4 (MP2(full)/6-31G) Cal/mol accordingly. Decomposition of structure (2) into two 1,3,2,4-dioxydiberyllotidine or four molecules of HBeOH is an endothermal process too and needs 22.1 (RHF/6-31G), 39.8 (MP2(full)/6-31G) Cal/mol and 127.1(RHF/6-31G), 155.2 MP2(full)/6-31G) Cal/mol accordingly. Geometrical characteristics of simple BeH 2 , Be 2 , Be 2 H 2 , Be 2 H 4 , BeO, Be 2 O 2 molecules are calculated [ru

The utility target market model

International Nuclear Information System (INIS)

Leng, G.J.; Martin, J.

1994-01-01

A new model (the Utility Target Market Model) is used to evaluate the economic benefits of photovoltaic (PV) power systems located at the electrical utility customer site. These distributed PV demand-side generation systems can be evaluated in a similar manner to other demand-side management technologies. The energy and capacity values of an actual PV system located in the service area of the New England Electrical System (NEES) are the two utility benefits evaluated. The annual stream of energy and capacity benefits calculated for the utility are converted to the installed cost per watt that the utility should be willing to invest to receive this benefit stream. Different discount rates are used to show the sensitivity of the allowable installed cost of the PV systems to a utility's average cost of capital. Capturing both the energy and capacity benefits of these relatively environmentally friendly distributed generators, NEES should be willing to invest in this technology when the installed cost per watt declines to ca $2.40 using NEES' rated cost of capital (8.78%). If a social discount rate of 3% is used, installation should be considered when installed cost approaches $4.70/W. Since recent installations in the Sacramento Municipal Utility District have cost between $7-8/W, cost-effective utility applications of PV are close. 22 refs., 1 fig., 2 tabs

Structure and stability of M6N8 clusters (M = Si, Ge, Sn, Ti).

Science.gov (United States)

Davydova, Elena I; Timoshkin, Alexey Y; Frenking, Gernot

2010-06-10

The structures and stabilities of the M(6)N(8) clusters (M = Si, Ge, Sn, Ti) have been theoretically studied at DFT and ab initio levels of theory. Two new isomers have been considered: cage-like molecules and propeller-like molecules. It is shown that only for M = Si are both isomers true minima on the potential energy surface. The thermodynamics of the dissociation process (1/6)M(6)N(8) --> (1/3)M(3)N(4) is discussed. For each M(3)N(4) molecule, four structures with different multiplicity are considered. The thermodynamic analysis shows that independently of the multiplicity of M(3)N(4) nitrides all M(6)N(8) clusters are stable in the gas phase in a wide temperature range and could be potential intermediates in chemical vapor deposition of the nitride materials.

New record of Scedosporium dehoogii from Chile: Phylogeny and susceptibility profiles to classic and novel putative antifungal agents.

Science.gov (United States)

Alvarez, Eduardo; Sanhueza, Camila

Scedosporium species are considered emerging agents causing illness in immunocompromised patients. In Chile, only Scedosporium apiospermum, Scedosporium boydii and Lomentospora prolificans haven been reported previously. The study aimed to characterize genetically Scedosporium dehoogii strains from Chilean soil samples, and assessed the antifungal susceptibility profile to classic and novel putative antifungal molecules. In 2014, several samples were obtained during a survey of soil fungi in urban areas from Chile. Morphological and phylogenetic analyses of the internal transcribed spacer region (ITS), tubulin (TUB), and calmodulin (CAL) sequences were performed. In addition, the susceptibility profiles to classic antifungal and new putative antifungal molecules were determined. Four strains of Scedosporium dehoogii were isolated from soil samples. The methodology confirmed the species (reported here as a new record for Chile). Antifungal susceptibility testing demonstrates the low activity of terpenes (α-pinene and geraniol) against this species. Voriconazole (VRC), posaconazole (PSC), and the hydroxyquinolines (clioquinol, and 5,7-dibromo-8-hydroxyquinoline) showed the best antifungal activity. Our results demonstrate that Scedosporium dehoogii is present in soil samples from Chile. This study shows also that hydroxyquinolines have potential as putative antifungal molecules. Copyright © 2016 Asociación Española de Micología. Publicado por Elsevier España, S.L.U. All rights reserved.

U3O8 microspheres sintering kinetics

International Nuclear Information System (INIS)

Godoy, A.L.E.

1986-01-01

U 3 O 8 microspheres sintering kinetics was determined using a hot-stage optical microscopy apparatus, able to reach temperature up to 1350 0 C in controlled atmospheres. The sintered material had its microstructure analysed by optical and electron microscopy. The microspheres were characterized initialy utilizing X-ray diffractometry and thermogravimetry. The equation which describes the microspheres shrinkage in function of the time was obtained using finite difference analysis X-ray diffractometry indicated hexagonal structure for the microspheres main starting material, ammonium diuranate thermogravimetric analysis showed reduction of this material to U 3 O 8 at 600 0 C. Ceramography results showed 5 hours sintered microspheres grain sizes G vary with the temperature. Sintered U 3 O 8 micrographs compared with published results for UO 2 , indicate similar homogeneity microstructural characteristics and suggest the processed micorspheres to be potentially useful as nuclear fuels. (Author) [pt

Structure-controlled synthesis and electrochemical properties of NH_4V_3O_8 as cathode material for Lithium ion batteries

International Nuclear Information System (INIS)

Cheng, Yayi; Huang, Jianfeng; Li, Jiayin; Cao, Liyun; Xu, Zhanwei; Wu, Jianpeng; Cao, Shanshan; Hu, Hailing

2016-01-01

NH_4V_3O_8 flower, nanobelt, lath and sheet were synthesized using a facile microwave hydrothermal method. The formation mechanism of NH_4V_3O_8 with various structures was proposed. As an cathode in Li-ion battery, the NH_4V_3O_8 nanobelt with one-dimensional structure as well as nanosized morphology, presents excellent cycling stability and enhanced rate capability when comparing with other NH_4V_3O_8 structures. Further study finds that the NH_4V_3O_8 nanobelt could provide high Li ion diffusion, excellent structural stability and good reversibility during the charge/discharge process, indicating a strong connection between the morphology and the electrochemical performance of NH_4V_3O_8 cathode.

RFe{sub 2}Mg{sub x}Al{sub 8−x} (R=La–Nd and Sm; x≈0.8): Flux synthesis, structure, magnetic and electrical properties

Energy Technology Data Exchange (ETDEWEB)

Ma, Xiaowei; Chai, Ping; Chen, Banghao [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States); Lochner, Eric [Department of Physics, Florida State University, Tallahassee, FL 32306 (United States); Latturner, Susan E., E-mail: latturne@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States)

2015-09-15

Single crystals of Mg-substituted CeFe{sub 2}Al{sub 8} type intermetallics RFe{sub 2}Mg{sub x}Al{sub 8–x} (R=La–Nd and Sm; x≤1) were grown by reacting iron and rare earth metals in 1:1 Mg/Al mixed flux. The structure features mono-capped and bi-capped trigonal prismatic FeAl{sub 6} units. Electronic structure calculations indicate that magnesium substitution reduces the valence electron count, shifting the Fermi level away from a pseudo-gap. This changes the electronic nature of the cerium analog; the previously reported ternary CeFe{sub 2}Al{sub 8} shows strong hybridization between the cerium states and the conduction electrons, resulting in no magnetic moment on Ce atoms. On the other hand, magnetic susceptibility measurements on CeFe{sub 2}Mg{sub x}Al{sub 8–x} indicates a localized moment on cerium. The newly synthesized Pr, Nd and Sm analogs exhibit antiferromagnetic ordering at 2.8 K, 7.8 K and 12 K respectively. Solid state {sup 27}Al NMR of LaFe{sub 2}Mg{sub x}Al{sub 8–x} exhibits a broad Knight shift at ~1200 ppm, consistent with the metallic behavior shown by electrical resistivity data. - Graphical abstract: Mg substitution into CeFe{sub 2}Al{sub 8} modifies cerium valence due to changing valence electron count. - Highlights: • RFe{sub 2}Mg{sub x}Al{sub 8−x} (R=La–Nd, Sm) grow as large crystals from reactions in Mg/Al flux. • Products are magnesium-substituted variants of CeFe{sub 2}Al{sub 8}, with CaCo{sub 2}Al{sub 8} structure. • Ce magnetic moment in CeFe{sub 2}Mg{sub x}Al{sub 8−x} varies from that in CeFe{sub 2}Al{sub 8} due to VEC change. • Antiferromagnetic ordering observed for Pr, Nd, Sm analogs of RFe{sub 2}Mg{sub x}Al{sub 8−x}.

Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction

CSIR Research Space (South Africa)

De Picciotto, LA

1993-08-01

Full Text Available The crystal structures of Li1.2V3O8 and a lithiated product Li4.0V3O8 have been determined by single-crystal X-ray diffraction methods. The structure refinement of Li1.2V308 confirms that of Li1+xV3O8(x almost-equal-to 0) reported by Wadsley thirty...

Hemiptera Mitochondrial Control Region: New Sights into the Structural Organization, Phylogenetic Utility, and Roles of Tandem Repetitions of the Noncoding Segment

Directory of Open Access Journals (Sweden)

Kui Li

2018-04-01

Full Text Available As a major noncoding fragment, the control region (CR of mtDNA is responsible for the initiation of mitogenome transcription and replication. Several structural features of CR sequences have been reported in many insects. However, comprehensive analyses on the structural organization and phylogenetic utility, as well as the role of tandem replications (TRs on length variation, high A+T content, and shift of base skew of CR sequences are poorly investigated in hemipteran insects. In this study, we conducted a series of comparative analyses, using 116 samples covering all 11 infraorders of the five currently recognized monophyletic groups in the Hemiptera. Several structural elements (mononucleotide stretches containing conserved sequence blocks (CSBs, TRs, and GA-rich region were identified in the mitochondrial control region in hemipteran insects, without showing a consistent location. The presence and absence of certain specific structural elements in CR sequences show the various structural organizations of that segment among the five monophyletic groups, which indicates the diversification of the control region’s structural organization in Hemiptera. Among the many groups within Hemiptera, eight monophyletic groups and three consistent phylogenetic trees were recovered, using CSBs datasets by maximum likelihood and Bayesian methods, which suggests the possible utility of CR sequences for phylogenetic reconstruction in certain groups of Hemiptera. Statistical analyses showed that TRs may contribute to the length variation, high AT content, and the shift of base skewing of CR sequences toward high AT content in the Hemiptera. Our findings enrich the knowledge of structural organization, phylogenetic utility, and roles of tandem replication of hemipteran CR, and provide a possible framework for mitochondrial control region analyses in hemimetabolous insects.

Magnetoresistance in hybrid organic spin valves at the onset of multiple-step tunneling

NARCIS (Netherlands)

Schoonus, J.J.H.M.; Lumens, P.G.E.; Wagemans, W.; Kohlhepp, J.T.; Bobbert, P.A.; Swagten, H.J.M.; Koopmans, B.

2009-01-01

By combining experiments with simple model calculations, we obtain new insight in spin transport through hybrid, CoFeB/Al2O3(1.5nm)/tris(8- hydroxyquinoline)aluminium (Alq3)/Co spin valves. We have measured the characteristic changes in the I-V behavior as well as the intrinsic loss of

Bulletin of Materials Science | Indian Academy of Sciences

Indian Academy of Sciences (India)

Abstract. Ternary system of single-layer organic-light-emitting diodes (OLEDs) were fabricated containing tris(8-hydroxyquinoline) aluminium (Alq3) blended with N,N′-diphenyl-N,N′-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine and 2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole small molecules. Electroluminescence ...

Structural studies of fluid mercury using synchrotron radiation at SPring-8

International Nuclear Information System (INIS)

Hong Xinguo; Tamura, K.

2003-01-01

With the volume expansion by heating up toward the critical point, typical liquid metal mercury undergoes metal-nonmetal transition (M-NM) at a density around 9 g/cm 3 . To study the structure changes of fluid Hg during volume expansion, we have carried out X-ray diffraction measurements for expanded fluid mercury in a wide density region from liquid to dense vapour region using synchrotron radiation at SPring-8. We have succeeded in developing a new high-pressure vessel, up to 1700 degree C under 2000 bar and with 7 scattering windows for energy-dispersive X-ray diffraction (EDXD) measurements under high temperature and high pressure. It was found that the reliability of the structure factors, S(k), and the accuracy of the pair distribution functions, g(r), are much better. Reliable relations of the coordination number and the correlation distance with the density of fluid Hg were obtained. Structural model of volume expansion of fluid Hg is proposed based on our new results. Structural changes with decreasing density are discussed in relation to the M-NM transition in fluid Hg

Utilization management in anatomic pathology.

Science.gov (United States)

Lewandrowski, Kent; Black-Schaffer, Steven

2014-01-01

There is relatively little published literature concerning utilization management in anatomic pathology. Nonetheless there are many utilization management opportunities that currently exist and are well recognized. Some of these impact only the cost structure within the pathology department itself whereas others reduce charges for third party payers. Utilization management may result in medical legal liabilities for breaching the standard of care. For this reason it will be important for pathology professional societies to develop national utilization guidelines to assist individual practices in implementing a medically sound approach to utilization management. © 2013.

Laminated wood as an alternative to wood poles : Engineered wood structures for electric utility and telecommunications industries

Energy Technology Data Exchange (ETDEWEB)

Reisdorff, R. [Laminated Wood Systems Inc., Seward, NE (United States)

2002-07-01

In this PowerPoint presentation, the author discusses the major advantages of laminated structures, for both the electric and telecommunication industries. The advantages include economy, quick delivery, climbing and field modifications, dimensional uniformity and stability. A series of pictures was displayed which showed the manufacturing process. Laminated structures have a proven history. They were developed in Europe in 1890, and introduced to the United States in 1934. Framing members were introduced in the late 1940s, while poles were introduced in 1963, two years ahead of steel poles. Some of the electrical utility applications include: (1) distribution structures, (2) transmission structures such as single-pole, phase over phase switch structures, tangent structures, and H-Frame construction. The applications for the telecommunication industry consist of joint use structures, such as electric and telecommunication, lighting and telecommunication, overhead telephone and wireless; mono-pole applications; three-pole Bell Towers; and tree poles. Examples of each type were shown. figs.

PDMS as a sacrificial substrate for SU-8-based biomedical and microfluidic applications

International Nuclear Information System (INIS)

Patel, Jasbir N; Kaminska, Bozena; Gray, Bonnie L; Gates, Byron D

2008-01-01

We describe a new fabrication process utilizing polydimethylesiloxane (PDMS) as a sacrificial substrate layer for fabricating free-standing SU-8-based biomedical and microfluidic devices. The PDMS-on-glass substrate permits SU-8 photo patterning and layer-to-layer bonding. We have developed a novel PDMS-based process which allows the SU-8 structures to be easily peeled off from the substrate after complete fabrication. As an example, a fully enclosed microfluidic chip has been successfully fabricated utilizing the presented new process. The enclosed microfluidic chip uses adhesive bonding technology and the SU-8 layers from 10 µm to 450 µm thick for fully enclosed microchannels. SU-8 layers as large as the glass substrate are successfully fabricated and peeled off from the PDMS layer as single continuous sheets. The fabrication results are supported by optical microscopy and profilometry. The peel-off force for the 120 µm thick SU-8-based chips is measured using a voice coil actuator (VCA). As an additional benefit the release step leaves the input and the output of the microchannels accessible to the outside world facilitating interconnecting to the external devices

Synthesis and crystal structure analysis of titanium bismuthide oxide, Ti{sub 8}BiO{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Amano, Shinsaku; Yamane, Hisanori, E-mail: yamane@tagen.tohoku.ac.jp

2016-08-05

Silver metallic luster columnar single crystals of a novel compound, Ti{sub 8}BiO{sub 7}, were synthesized using a bismuth flux. Ti{sub 8}BiO{sub 7} having a new structure type crystallizes in an orthorhombic cell, a = 7.8473(4) Å, b = 16.8295(10) Å, c = 3.0256(2) Å, space group: Cmmm. The Ti atoms enter the sites of isosceles-triangle 3-fold and rectangular 4-fold coordination of O atoms and the site of octahedral 6-fold coordination of O and Bi atoms. O atoms are in the rectangles, tetrahedra, and orthogonal pyramids of Ti atoms. The electrical resistivity measured for a Ti{sub 8}BiO{sub 7} single crystal in the c-axis direction was 6.2 × 10{sup −7} Ωm at 300 K and 1.3 × 10{sup −7} Ωm at 10 K. - Highlights: • A novel bismuthide oxide containing titanium, Ti{sub 8}BiO{sub 7}, was synthesized. • Single crystals of Ti{sub 8}BiO{sub 7} were grown by heating a mixture of Ti and Bi{sub 2}O{sub 3}. • Single crystal X-ray diffraction revealed that Ti{sub 8}BiO{sub 7} has a new structure type. • O atoms and Bi atoms are surrounded by Ti atoms in the structure. • Metallic conduction of Ti{sub 8}BiO{sub 7} was exhibited.

Overcoming Structural Constraints to Patient Utilization of Electronic Medical Records: A Critical Review and Proposal for an Evaluation Framework

OpenAIRE

Winkelman, Warren J.; Leonard, Kevin J.

2004-01-01

There are constraints embedded in medical record structure that limit use by patients in self-directed disease management. Through systematic review of the literature from a critical perspective, four characteristics that either enhance or mitigate the influence of medical record structure on patient utilization of an electronic patient record (EPR) system have been identified: environmental pressures, physician centeredness, collaborative organizational culture, and patient centeredness. An ...

Solvent-Dependent Delamination, Restacking, and Ferroelectric Behavior in a New Charge-Separated Layered Compound: [NH4 ][Ag3 (C9 H5 NO4 S)2 (C13 H14 N2 )2 ]⋅8 H2 O.

Science.gov (United States)

Sushrutha, Sringeri Ramesh; Mohana, Shivanna; Pal, Somnath; Natarajan, Srinivasan

2017-01-03

A new anionic coordination polymer, [NH 4 ][Ag 3 (C 9 H 5 NO 4 S) 2 (C 13 H 14 N 2 ) 2 ]⋅8 H 2 O, with a two-dimensional structure, has been synthesized by a reaction between silver nitrate, 8-hydroxyquinoline-5-sulfonic acid (HQS), and 4,4'-trimethylene dipyridine (TMDP). The compound stabilizes in a noncentrosymmetric space group, and the lattice water molecules and the charge-compensating [NH 4 ] + group occupy the inter-lamellar spaces. The lattice water molecules can be fully removed and reinserted, which is accompanied by a crystalline-amorphous-crystalline transformation. This transformation resembles the collapse/delamination and restacking of the layers. To the best of our knowledge, this is the first observation of delamination and restacking in an inorganic coordination polymer that contains silver. The presence of a natural dipole (the anionic framework and cationic ammonium ions) along with the noncentrosymmetric space group gives rise to the room-temperature ferroelectric behavior of the compound. The ferroelectric behavior is also water-dependent and exhibits a ferroelectric-paraelectric transformation. The temperature-dependent dielectric measurements indicate that the ferroelectric/ paraelectric transformation occurs at 320 K. This transformation has also been investigated by using in-situ IR spectroscopy and PXRD studies. The second-harmonic generation (SHG) study indicated values that are comparable to some of the known SHG solids, such as potassium dihydrogen phosphate (KDP) and urea. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Equilibrium Speciation of Select Lanthanides in the Presence of Acidic Ligands in Homo- and Heterogeneous Solutions

Energy Technology Data Exchange (ETDEWEB)

Robinson, Troy A [Univ. of Nevada, Las Vegas, NV (United States)

2011-08-01

This dissertation explores lanthanide speciation in liquid solution systems related to separation schemes involving the acidic ligands: bis(2-ethylhexyl) phosphoric acid (HDEHP), lactate, and 8-hydroxyquinoline. Equilibrium speciation of neodymium (Nd³⁺), sodium (Na+), HDEHP, water, and lactate in the TALSPEAK liquid-liquid extraction system was explored under varied Nd³⁺ loading of HDEHP in the organic phase and through extraction from aqueous HCl and lactate media. System speciation was probed through vapor pressure osmometry, visible and Fourier Transform Infrared (FTIR) spectroscopy, ²²Na and ¹³C labeled lactate radiotracer distribution measurements, Karl Fischer titrations, and equilibrium pH measurements. Distribution of Nd³⁺, Na⁺, lactate, and equilibrium pH were modeled using the SXLSQI software to obtain logKNd and logKNa extraction constants under selected conditions. Results showed that high Nd³⁺ loading of the HDEHP led to Nd³⁺ speciation that departs from the ion exchange mechanism and includes formation of highly aggregated, polynuclear [NdLactate(DEHP)₂]_x; (with x > 1). By substituting lanthanum (La³⁺) for Nd³⁺ in this system, NMR scoping experiments using ²³Na, ³¹P nuclei and ¹³C labeled lactate were performed. Results indicated that this technique is sensitive to changes in system speciation, and that further experiments are warranted. In a homogeneous system representing the TALSPEAK aqueous phase, Lactate protonation behavior at various temperatures was characterized using a combination of potentiometric titration and modeling with the Hyperquad computer program. The temperature dependent deprotonation behavior of lactate showed little change with temperature at 2.0 M NaCl ionic strength. Cloud point extraction is a non-traditional separation technique that starts with a homogeneous

Obligation for the reporting of events and internal organization structure for information of the authorities by the utility

International Nuclear Information System (INIS)

Mueller, H.J.; Scheer, J.

1997-01-01

The obligation of the utilities for the reporting of events to the authorities responsible for nuclear regulation and safety of the public is shown in this report. As an example the nuclear power plants of PreussenElektra Brokdorf and Stade are taken. The internal organization structure and the ways of communication to the authorities are discribed. Furthermore, the outlook and structure of the report which is used for alarm and information of the authorities is shown. (orig.) [de

The structure of melon necrotic spot virus determined at 2.8 Å resolution

International Nuclear Information System (INIS)

Wada, Yasunobu; Tanaka, Hideaki; Yamashita, Eiki; Kubo, Chikako; Ichiki-Uehara, Tamaki; Nakazono-Nagaoka, Eiko; Omura, Toshihiro; Tsukihara, Tomitake

2007-01-01

The structure of melon necrotic spot virus is reported. The structure of melon necrotic spot virus (MNSV) was determined at 2.8 Å resolution. Although MNSV is classified into the genus Carmovirus of the family Tombusviridae, the three-dimensional structure of MNSV showed a higher degree of similarity to tomato bushy stunt virus (TBSV), which belongs to the genus Tombusvirus, than to carnation mottle virus (CMtV), turnip crinkle virus (TCV) or cowpea mottle virus (CPMtV) from the genus Carmovirus. Thus, the classification of the family Tombusviridae at the genus level conflicts with the patterns of similarity among coat-protein structures. MNSV is one of the viruses belonging to the genera Tombusvirus or Carmovirus that are naturally transmitted in the soil by zoospores of fungal vectors. The X-ray structure of MNSV provides us with a representative structure of viruses transmitted by fungi

New resin gel for uranium determination by diffusive gradient in thin films technique

Czech Academy of Sciences Publication Activity Database

Gregušová, Michaela; Dočekal, Bohumil

2011-01-01

Roč. 684, 1-2 (2011), s. 142-146 ISSN 0003-2670 R&D Projects: GA ČR GAP503/10/2002 Institutional research plan: CEZ:AV0Z40310501 Keywords : diffusive gradient in thin film technique * 8-hydroxyquinoline resin gel * uranium determination Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.555, year: 2011

Epoxy Nanocomposites Containing Zeolitic Imidazolate Framework-8.

Science.gov (United States)

Liu, Cong; Mullins, Michael; Hawkins, Spencer; Kotaki, Masaya; Sue, Hung-Jue

2018-01-10

Zeolitic imidazole framework-8 (ZIF-8) is utilized as a functional filler and a curing agent in the preparation of epoxy nanocomposites. The imidazole group on the surface of the ZIF-8 initiates epoxy curing, resulting in covalent bonding between the ZIF-8 crystals and epoxy matrix. A substantial reduction in dielectric constant and increase in tensile modulus were observed. The implication of the present study for utilization of metal-organic framework to improve physical and mechanical properties of polymeric matrixes is discussed.

Fiber fault location utilizing traffic signal in optical network.

Science.gov (United States)

Zhao, Tong; Wang, Anbang; Wang, Yuncai; Zhang, Mingjiang; Chang, Xiaoming; Xiong, Lijuan; Hao, Yi

2013-10-07

We propose and experimentally demonstrate a method for fault location in optical communication network. This method utilizes the traffic signal transmitted across the network as probe signal, and then locates the fault by correlation technique. Compared with conventional techniques, our method has a simple structure and low operation expenditure, because no additional device is used, such as light source, modulator and signal generator. The correlation detection in this method overcomes the tradeoff between spatial resolution and measurement range in pulse ranging technique. Moreover, signal extraction process can improve the location result considerably. Experimental results show that we achieve a spatial resolution of 8 cm and detection range of over 23 km with -8-dBm mean launched power in optical network based on synchronous digital hierarchy protocols.

Synthesis,crystal structure and properties of inorganic-organic hybrid polymers based on 8-hydroxylquinoline-5-sulfonic acid

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

Two new inorganic-organic hybrid polymers, Mn(QS)(H2O) (1) and Co(QS)(H2O)2 (2) (H2QS=8-hydroxyl-quinoline-5-sulfonic acid), based on 8-hydroxylquinoline-5-sulfonate ligand, have been synthesized under solvothermal conditions and their structures were solved by single-crystal X-ray diffraction analysis. Compound 1 is a three-dimensional open framework with rutile topology structure, and compound 2 is a three-dimensional supramolecular structure. These compounds were characterized by powder XRD, infrared spectroscopy, thermogravimetric analysis, fluorescence properties and magnetism properties.

Cloud point extraction: an alternative to traditional liquid-liquid extraction for lanthanides(III) separation.

Science.gov (United States)

Favre-Réguillon, Alain; Draye, Micheline; Lebuzit, Gérard; Thomas, Sylvie; Foos, Jacques; Cote, Gérard; Guy, Alain

2004-06-17

Cloud point extraction (CPE) was used to extract and separate lanthanum(III) and gadolinium(III) nitrate from an aqueous solution. The methodology used is based on the formation of lanthanide(III)-8-hydroxyquinoline (8-HQ) complexes soluble in a micellar phase of non-ionic surfactant. The lanthanide(III) complexes are then extracted into the surfactant-rich phase at a temperature above the cloud point temperature (CPT). The structure of the non-ionic surfactant, and the chelating agent-metal molar ratio are identified as factors determining the extraction efficiency and selectivity. In an aqueous solution containing equimolar concentrations of La(III) and Gd(III), extraction efficiency for Gd(III) can reach 96% with a Gd(III)/La(III) selectivity higher than 30 using Triton X-114. Under those conditions, a Gd(III) decontamination factor of 50 is obtained.

Nuclear utility structure. Use of nuclear service companies

International Nuclear Information System (INIS)

Ring, L.E.

1980-01-01

The feasibility of utilities incorporating service companies to construct and maintain nuclear power plants is analyzed. Responsibilities of the service companies and the public opinion of the concept are discussed

D-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)8-Barrel Superfamily

International Nuclear Information System (INIS)

Akana, J.; Federov, A.; Federov, E.; Novak, W.; Babbitt, P.; Almo, S.; Gerlt, J.

2006-01-01

The 'ribulose phosphate binding' superfamily defined by the Structural Classification of Proteins (SCOP) database is considered the result of divergent evolution from a common (β/α) 8 -barrel ancestor. The superfamily includes D-ribulose 5-phosphate 3-epimerase (RPE), orotidine 5'-monophosphate decarboxylase (OMPDC), and 3-keto-L-gulonate 6-phosphate decarboxylase (KGPDC), members of the OMPDC suprafamily, as well as enzymes involved in histidine and tryptophan biosynthesis that utilize phosphorylated metabolites as substrates. We now report studies of the functional and structural relationships of RPE to the members of the superfamily. As suggested by the results of crystallographic studies of the RPEs from rice and Plasmodium falciparum, the RPE from Streptococcus pyogenes is activated by Zn 2+ which binds with a stoichiometry of one ion per polypeptide. Although wild type RPE has a high affinity for Zn 2+ and inactive apoenzyme cannot be prepared, the affinity for Zn 2+ is decreased by alanine substitutions for the two histidine residues that coordinate the Zn 2+ ion (H34A and H67A); these mutant proteins can be prepared in an inactive, metal-free form and activated by exogenous Zn 2+ . The crystal structure of the RPE was solved at 1.8 Angstroms resolution in the presence of D-xylitol 5-phosphate, an inert analogue of the D-xylulose 5-phosphate substrate. This structure suggests that the 2,3-enediolate intermediate in the 1,1-proton transfer reaction is stabilized by bidentate coordination to the Zn 2+ that also is liganded to His 34, Asp 36, His 67, and Asp 176; the carboxylate groups of the Asp residues are positioned also to function as the acid/base catalysts. Although the conformation of the bound analogue resembles those of ligands bound in the active sites of OMPDC and KGPDC, the identities of the active site residues that coordinate the essential Zn 2+ and participate as acid/base catalysts are not conserved. We conclude that only the phosphate

D-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)8-Barrel Superfamily

Energy Technology Data Exchange (ETDEWEB)

Akana,J.; Federov, A.; Federov, E.; Novak, W.; Babbitt, P.; Almo, S.; Gerlt, J.

2006-01-01

The 'ribulose phosphate binding' superfamily defined by the Structural Classification of Proteins (SCOP) database is considered the result of divergent evolution from a common ({beta}/{alpha}){sub 8}-barrel ancestor. The superfamily includes D-ribulose 5-phosphate 3-epimerase (RPE), orotidine 5'-monophosphate decarboxylase (OMPDC), and 3-keto-L-gulonate 6-phosphate decarboxylase (KGPDC), members of the OMPDC suprafamily, as well as enzymes involved in histidine and tryptophan biosynthesis that utilize phosphorylated metabolites as substrates. We now report studies of the functional and structural relationships of RPE to the members of the superfamily. As suggested by the results of crystallographic studies of the RPEs from rice and Plasmodium falciparum, the RPE from Streptococcus pyogenes is activated by Zn{sup 2+} which binds with a stoichiometry of one ion per polypeptide. Although wild type RPE has a high affinity for Zn{sup 2+} and inactive apoenzyme cannot be prepared, the affinity for Zn{sup 2+} is decreased by alanine substitutions for the two histidine residues that coordinate the Zn{sup 2+} ion (H34A and H67A); these mutant proteins can be prepared in an inactive, metal-free form and activated by exogenous Zn{sup 2+}. The crystal structure of the RPE was solved at 1.8 Angstroms resolution in the presence of D-xylitol 5-phosphate, an inert analogue of the D-xylulose 5-phosphate substrate. This structure suggests that the 2,3-enediolate intermediate in the 1,1-proton transfer reaction is stabilized by bidentate coordination to the Zn{sup 2+} that also is liganded to His 34, Asp 36, His 67, and Asp 176; the carboxylate groups of the Asp residues are positioned also to function as the acid/base catalysts. Although the conformation of the bound analogue resembles those of ligands bound in the active sites of OMPDC and KGPDC, the identities of the active site residues that coordinate the essential Zn{sup 2+} and participate as acid/base catalysts

Structural design considerations for an 8-m space telescope

Science.gov (United States)

Arnold, William r., Sr.; Stahl, H. Philip

2009-08-01

NASA's upcoming ARES V launch vehicle, with its' immense payload capacities (both volume and mass) has opened the possibilities for a whole new paradigm of space observatories. It becomes practical to consider a monolith mirror of sufficient size to permit significant scientific advantages, both in collection area and smoothness or figure at a reasonable price. The technologies and engineering to manufacture and test 8 meter class monoliths is mature, with nearly a dozen of such mirrors already in operation around the world. This paper will discuss the design requirements to adapt an 8m meniscus mirror into a Space Telescope System, both launch and operational considerations are included. With objects this massive and structurally sensitive, the mirror design must include all stages of the process. Based upon the experiences of the Hubble Space Telescope, testing and verification at both component and integrated system levels are considered vital to mission success. To this end, two different component level test methods for gravity sag (the so call zero- gravity simulation or test mount) are proposed, with one of these methods suitable for the full up system level testing as well.

Perceived utility of emotion: the structure and construct validity of the Perceived Affect Utility Scale in a cross-ethnic sample.

Science.gov (United States)

Chow, Philip I; Berenbaum, Howard

2012-01-01

This study introduces a new measure of the perceived utility of emotion, which is the degree to which emotions are perceived to be useful in achieving goals. In this study, we administered this new measure, the Perceived Affect Utility Scale (PAUSe), to a sample of 142 European American and 156 East Asian American college students. Confirmatory factor analyses provided support for a new, culturally informed parsing of emotion and for perceived utility of emotion to be distinguishable from ideal affect, a related but separate construct. Next, we explored the potential importance of perceived utility of emotion in cultural research. Through path analyses, we found that: (a) culturally relevant variables (e.g., independence) played a mediating role in the link between ethnic group and perceived utility of emotion; and (b) perceived utility of emotion played a mediating role in the link between culturally relevant variables and ideal affect. In particular, perceived utility of self-centered emotions (e.g., pride) was found to be associated with independence and ideal affect of those same emotions. In contrast, perceived utility of other-centered emotions (e.g., appreciation) was found to be associated with interdependence, dutifulness/self-discipline, and ideal affect of those same emotions. Implications for perceived utility of emotion in understanding cultural factors are discussed.

Effects of Drawdown and Structures on Bed-Load Transport in Pool 8 Navigation Channel

National Research Council Canada - National Science Library

Abraham, David; Hendrickson, Jon

2003-01-01

... of a pool drawdown and structures on bed-load transport in the Pool 8 navigation channel. Work was conducted as part of the Monitoring of Completed Navigation Projects (MCNP) program. BACKGROUND...

Disordered crystal structure of 20H-AlON, Al10O3N8

International Nuclear Information System (INIS)

Banno, Hiroki; Funahashi, Shiro; Asaka, Toru; Hirosaki, Naoto; Fukuda, Koichiro

2015-01-01

The disordered crystal structure of 20H-AlON (Al 10 O 3 N 8 ) was determined by combined use of X-ray powder diffraction and transmission electron microscopy. The title compound is hexagonal with space group P6 3 /mmc (Z=2) and the unit-cell dimensions are a=0.307082(5) nm, c=5.29447(8) nm and V=0.432376(12) nm 3 . The structural model showed the positional disordering of three of the six Al sites in the unit cell. The reliability indices calculated from the Rietveld method were R wp =6.97%, S (=R wp /R e )=1.68, R p =5.45%, R B =5.13% and R F =4.56%. We interpreted the disordered structure of 20H-AlON as a statistical average of six different types of ordered structural configurations, which are composed of an octahedral [Al(O, N) 6 ] layer and tetrahedral [Al(O, N) 4 ] layers. We demonstrated the high correlations between the hexagonal unit-cell dimensions and the octahedral layer concentrations for AlON and SiAlON polytypoids. - Graphical abstract: Variations of a and c/(n O +n T ) with n O /(n O +n T ). The a and c are the hexagonal unit-cell dimensions of AlON, SiAlON and AlN. The n O and n T are, respectively, the numbers of octahedral and tetrahedral layers in the unit cells. The unit-cell dimensions in literature are plotted in black plus for AlON and black cross for SiAlON. The unit-cell dimensions of AlN are a=0.3110 nm and c=0.4980 nm. - Highlights: • Crystal structure of Al10O3N8 is determined by laboratory X-ray powder diffraction. • The atom arrangements are represented by the split-atom model. • Six types of ordered atom arrangements are derived from the disordered structure. • Hexagonal unit-cell dimensions changed systematically for AlON and SiAlON compounds

First principles simulation on the K0.8Fe2Se2 high-temperature structural superconductor

International Nuclear Information System (INIS)

Guo, Rui; Yang, Shizhong; Khosravi, Ebrahim; Zhao, Guang-Lin; Bagayoko, Diola

2013-01-01

Highlights: • The superconductor K 0.8 Fe 2 Se 2 super cell size, shape, and atomic positions are fully optimized using first principles density functional theory method. • Each K atom donates 0.8 |e| with K vacancies in the supercell, each Fe atom donates 0.4 |e|, while each Se atom gains 0.7 |e| ∼ 0.8 |e|. • Fe atoms show magnetic moment fluctuation and possible strong spin-orbital coupling. -- Abstract: Since the synthesis of the first ones in 2008, iron-based high temperature superconductors have been the subject of many studies. This great interest is partly due to their higher, upper magnetic field, smaller Fermi surface around the Γ point, and a larger coherence length. This work is focused on A x Fe 2 Se 2 structural superconductor (FeSe, 11 hierarchy; A = K, Cs) as recently observed. ARPES data show novel, electronic structure and a hole-free Fermi surface which is different from previously observed Fermi surface images. We use ab initio density functional theory method to simulate the electronic structure of the novel superconductor A x Fe 2 Se 2 . We compare this electronic structure with those of other Fe-based superconductors

Structural context effects in the oxidation of 8-oxo-7,8-dihydro-2'-deoxyguanosine to hydantoin products: electrostatics, base stacking, and base pairing.

Science.gov (United States)

Fleming, Aaron M; Muller, James G; Dlouhy, Adrienne C; Burrows, Cynthia J

2012-09-12

8-Oxo-7,8-dihydroguanine (OG) is the most common base damage found in cells, where it resides in many structural contexts, including the nucleotide pool, single-stranded DNA at transcription forks and replication bubbles, and duplex DNA base-paired with either adenine (A) or cytosine (C). OG is prone to further oxidation to the highly mutagenic hydantoin products spiroiminodihydantoin (Sp) and 5-guanidinohydantoin (Gh) in a sharply pH-dependent fashion within nucleosides. In the present work, studies were conducted to determine how the structural context affects OG oxidation to the hydantoins. These studies revealed a trend in which the Sp yield was greatest in unencumbered contexts, such as nucleosides, while the Gh yield increased in oligodeoxynucleotide (ODN) contexts or at reduced pH. Oxidation of oligomers containing hydrogen-bond modulators (2,6-diaminopurine, N(4)-ethylcytidine) or alteration of the reaction conditions (pH, temperature, and salt) identify base stacking, electrostatics, and base pairing as the drivers of the key intermediate 5-hydroxy-8-oxo-7,8-dihydroguanine (5-HO-OG) partitioning along the two hydantoin pathways, allowing us to propose a mechanism for the observed base-pairing effects. Moreover, these structural effects cause an increase in the effective pK(a) of 5-HO-OG, following an increasing trend from 5.7 in nucleosides to 7.7 in a duplex bearing an OG·C base pair, which supports the context-dependent product yields. The high yield of Gh in ODNs underscores the importance of further study on this lesion. The structural context of OG also determined its relative reactivity toward oxidation, for which the OG·A base pair is ~2.5-fold more reactive than an OG·C base pair, and with the weak one-electron oxidant ferricyanide, the OG nucleoside reactivity is >6000-fold greater than that of OG·C in a duplex, leading to the conclusion that OG in the nucleoside pool should act as a protective agent for OG in the genome.

Structure, properties, and disorder in the new distorted-Hollandite PbIr{sub 4}Se{sub 8}

Energy Technology Data Exchange (ETDEWEB)

Trump, Benjamin A., E-mail: btrump1@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218 (United States); Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218 (United States); McQueen, Tyrel M., E-mail: mcqueen@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218 (United States); Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218 (United States); Department of Material Science and Engineering, Johns Hopkins University, Baltimore, MD 21218 (United States)

2016-10-15

The synthesis and physical properties of the new distorted-Hollandite PbIr{sub 4}Se{sub 8} are reported. Powder X-ray diffraction and transmission electron microscopy show that the structure consists of edge- and corner-sharing IrSe{sub 6} octahedra, with one-dimensional channels occupied by Pb. The structure contains Se-Se anion-anion bonding, leading to an electron count of Pb{sup 2+}(Ir{sup 3+}){sub 4}(Se{sub 2}){sup 2-}(Se{sup 2−}){sub 6}, confirmed by bond-valence sums and diamagnetic behavior. Structural and heat capacity measurements demonstrate disorder on the Pb site, due to the combination of lone-pair effects and the large size of the one-dimensional channels. Comparisons are made to known Hollandite and pseudo-Hollandite structures, which demonstrates that the anion-anion bonding in PbIr{sub 4}Se{sub 8} distorts its structure, to accommodate the Ir{sup 3+} state. An electronic structure calculation indicates semiconductor character with a band gap of 0.76(11) eV.

Characterization of Alq3 thin films by a near-field microwave microprobe.

Science.gov (United States)

Hovsepyan, Artur; Lee, Huneung; Sargsyan, Tigran; Melikyan, Harutyun; Yoon, Youngwoon; Babajanyan, Arsen; Friedman, Barry; Lee, Kiejin

2008-09-01

We observed tris-8-hydroxyquinoline aluminum (Alq3) thin films dependence on substrate heating temperatures by using a near-field microwave microprobe (NFMM) and by optical absorption at wavelengths between 200 and 900 nm. The changes of absorption intensity at different substrate heating temperatures are correlated to the changes in the sheet resistance of Alq3 thin films.

Facile solution synthesis of hexagonal Alq3 nanorods and their field emission properties.

Science.gov (United States)

Hu, Jin-Song; Ji, Heng-Xing; Cao, An-Min; Huang, Zheng-Xi; Zhang, Yang; Wan, Li-Jun; Xia, An-Dong; Yu, Da-Peng; Meng, Xiang-Min; Lee, Shuit-Tong

2007-08-07

A facile self-assembly growth route assisted by surfactant has been developed to synthesize tris(8-hydroxyquinoline)aluminium (Alq(3)) nanorods with regular hexagonal shape and good crystallinity, which exhibit field-emission characteristics with a very low turn-on field of ca. 3.1 V microm(-1) and a high field-enhancement factor of ca. 1300.

Optical and Morphological Studies of Thermally Evaporated PTCDI-C8 Thin Films for Organic Solar Cell Applications

Directory of Open Access Journals (Sweden)

Ronak Rahimi

2013-01-01

Full Text Available PTCDI-C8 due to its relatively high photosensitivity and high electron mobility has attracted much attention in organic semiconductor devices. In this work, thin films of PTCDI-C8 with different thicknesses were deposited on silicon substrates with native silicon dioxide using a vacuum thermal evaporator. Several material characterization techniques have been utilized to evaluate the structure, morphology, and optical properties of these films. Their optical constants (refractive index and extinction coefficient have been extracted from the spectroscopic ellipsometry (SE. X-ray reflectivity (XRR and atomic force microscopy (AFM were employed to determine the morphology and structure as well as the thickness and roughness of the PTCDI-C8 thin films. These films revealed a high degree of structural ordering within the layers. All the experimental measurements were performed under ambient conditions. PTCDI-C8 films have shown to endure ambient condition which allows pots-deposition characterization.

Creating a Test Validated Structural Dynamic Finite Element Model of the Multi-Utility Technology Test Bed Aircraft

Science.gov (United States)

Pak, Chan-Gi; Truong, Samson S.

2014-01-01

Small modeling errors in the finite element model will eventually induce errors in the structural flexibility and mass, thus propagating into unpredictable errors in the unsteady aerodynamics and the control law design. One of the primary objectives of Multi Utility Technology Test Bed, X-56A, aircraft is the flight demonstration of active flutter suppression, and therefore in this study, the identification of the primary and secondary modes for the structural model tuning based on the flutter analysis of X-56A. The ground vibration test validated structural dynamic finite element model of the X-56A is created in this study. The structural dynamic finite element model of the X-56A is improved using a model tuning tool. In this study, two different weight configurations of the X-56A have been improved in a single optimization run.

A sodium gadolinium phosphate with two different types of tunnel structure: Synthesis, crystal structure, and optical properties of Na3GdP2O8

International Nuclear Information System (INIS)

Fang, M.; Cheng, W.-D.; Zhang, H.; Zhao, D.; Zhang, W.-L.; Yang, S.-L.

2008-01-01

A sodium gadolinium phosphate crystal, Na 3 GdP 2 O 8 , has been synthesized by a high-temperature solution reaction, and it exhibits a new structural family of the alkali-metal-rare-earth phosphate system. Although many compounds with formula M 3 LnP 2 O 8 have been reported, but they were shown to be orthorhombic [R. Salmon, C. Parent, M. Vlasse, G. LeFlem, Mater. Res. Bull. 13 (1978) 439] rather than monoclinic as shown in this paper. Single-crystal X-ray diffraction analysis shows the structure to be monoclinic with space group C2/c and the cell parameters: a=27.55 (25), b=5.312 (4), c=13.935(11) A, β=91.30(1) o , and V=2038.80 A 3 , Z=4. Its structure features a three-dimensional GdP 2 O 8 3- anionic framework with two different types of interesting tunnels at where Na atoms are located by different manners. The framework is constructed by Gd polyhedra and isolated PO 4 tetrahedra. It is different from the structure of K 3 NdP 2 O 8 [R. Salmon, C. Parent, M. Vlasse, G. LeFlem, Mater. Res. Bull. 13 (1978) 439] with space group P2 1 /m that shows only one type of tunnel. The emission spectrum and the absorption spectrum of the compound have been investigated. Additionally, the calculations of band structure, density of states, dielectric constants, and refractive indexes have been also performed with the density functional theory method. The obtained results tend to support the experimental data. - Graphical abstract: Projection of the structure of Na 3 GdP 2 O 8 with a unit cell edge along the b-axis. The Na-O bonds are omitted for clarity

An Extra-Large-Pore Zeolite with 24×8×8-Ring Channels Using a Structure-Directing Agent Derived from Traditional Chinese Medicine.

Science.gov (United States)

Zhang, Chuanqi; Kapaca, Elina; Li, Jiyang; Liu, Yunling; Yi, Xianfeng; Zheng, Anmin; Zou, Xiaodong; Jiang, Jiuxing; Yu, Jihong

2018-03-12

Extra-large-pore zeolites have attracted much interest because of their important applications because for processing larger molecules. Although great progress has been made in academic science and industry, it is challenging to synthesize these materials. A new extra-large-pore zeolite SYSU-3 (Sun Yat-sen University no. 3) has been synthesized by using a novel sophoridine derivative as an organic structure-directing agent (OSDA). The framework structure was solved and refined using continuous rotation electron diffraction (cRED) data from nanosized crystals. SYSU-3 exhibits a new zeolite framework topology, which has the first 24×8×8-ring extra-large-pore system and a framework density (FD) as low as 11.4 T/1000 Å 3 . The unique skeleton of the OSDA plays an essential role in the formation of the distinctive zeolite structure. This work provides a new perspective for developing new zeolitic materials by using alkaloids as cost-effective OSDAs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nutritive utilization of protein and digestive utilization of fat in two commercial diets designed for clinical enteral nutrition.

Science.gov (United States)

Alférez, M J; Campos, M S; Barrionuevo, M; López-Aliaga, I

1990-01-01

The digestive and metabolic utilization of protein (50% lactoalbumin + 50% casein) and fat (43.0% butter, 29.5% olive oil, 14.7% soy oil, 9.8% MCT and 3.0% lecithin) provided by two commercial diets used in clinical enteral nutrition (normoproteic, 16.1% protein and 20.8% fat, and hyperproteic, 23.1% protein and 14.9% fat), was studied in adult rats (mean body weight 180 g). The diet containing the greater amount of protein improved the digestive utilization of nitrogen, and although nitrogen retention was optimal, it failed to rise further when the dietary protein supply was increased. The digestive utilization of fat in both diets was excellent.

A safe potential juice clarifying pectinase from Trichoderma viride EF-8 utilizing Egyptian onion skins

Directory of Open Access Journals (Sweden)

Abdel-Mohsen S. Ismail

2016-06-01

Full Text Available The production of a notable, safe and highly active pectinase by the local fungal strain Trichoderma viride EF-8 utilizing the abundant pigmented Egyptian onion (Allium cepa L. skins (6.5%, w/v was achieved in 4 days submerged fermentation (SMF cultures, at temperature and pH of 30 °C and 4.0, respectively. The indigenously produced pectinase was partially purified by 50% batch ethanol precipitation and its general properties were studied following the standard procedures. The lyophilized enzyme preparation was free of any ochra or aflatoxins. The optimum conditions for the partially purified enzyme form were 2 mg/mL and 1% (w/v enzyme protein and substrate (citrus pectin concentrations, reaction pH and temperature of 7.0 and 40 °C, respectively. The results presented the low cost onion skins waste as the major substrate for the fungal pectinase production and its subsequent use in perfect fruit (apple, lemon and orange juices clarification with remarkable stability during and after this process, which certainly enhance fruit juices processing in the tropics.

Overcoming structural constraints to patient utilization of electronic medical records: a critical review and proposal for an evaluation framework.

Science.gov (United States)

Winkelman, Warren J; Leonard, Kevin J

2004-01-01

There are constraints embedded in medical record structure that limit use by patients in self-directed disease management. Through systematic review of the literature from a critical perspective, four characteristics that either enhance or mitigate the influence of medical record structure on patient utilization of an electronic patient record (EPR) system have been identified: environmental pressures, physician centeredness, collaborative organizational culture, and patient centeredness. An evaluation framework is proposed for use when considering adaptation of existing EPR systems for online patient access. Exemplars of patient-accessible EPR systems from the literature are evaluated utilizing the framework. From this study, it appears that traditional information system research and development methods may not wholly capture many pertinent social issues that arise when expanding access of EPR systems to patients. Critically rooted methods such as action research can directly inform development strategies so that these systems may positively influence health outcomes.

Effect of poly and mono-unsaturated fatty acids on stability and structure of recombinant S100A8/A9.

Science.gov (United States)

Asghari, Hamideh; Chegini, Koorosh Goodarzvand; Amini, Abbas; Gheibi, Nematollah

2016-03-01

Recombinant pET 15b vectors containing the coding sequences S100A8 and S100A9 are expressed in Escherichia coli BL21 (DE3) and purified using Ni-NTA affinity chromatography. The structural changes of S100A8/A9 complex are analyzed upon interaction with poly/mono-unsaturated fatty acids (UFAs). The thermodynamic values, Gibbs free energy and the protein melting point, are obtained through thermal denaturation of protein both with and without UFAs by thermal scanning of protein emission using the fluorescence spectroscopy technique. The far-ultraviolet circular dichroism spectra show that all studied unsaturated fatty acids, including arachidonic, linoleic, alpha-linolenic and oleic acids, induce changes in the secondary structure of S100A8/A9 by reducing the α-helix and β-sheet structures. The tertiary structure of S100A8/A9 has fluctuations in the fluorescence emission spectra after the incubation of protein with UFAs. The blue-shift of emission maximum wavelength and the increase in fluorescence intensity of anilino naphthalene-8-sulfonic acid confirm that the partial unfolding is caused by the conformational changes in the tertiary structure in the presence of UFAs. The structural changes in S100A8/A9 and its lower stability in the presence of UFAs may be necessary for S100A8/A9 to play a biological role in the inflammatory milieu. Copyright © 2015 Elsevier B.V. All rights reserved.

Thermophysical Properties and Structural Transition of Hg(0.8)Cd(0.2)Te Melt

Science.gov (United States)

Li, C.; Scripa, R. N.; Ban, H.; Lin, B.; Su, C.; Lehoczky, S. L.

2004-01-01

Thermophysical properties, namely, density, viscosity, and electrical conductivity of Hg(sub o.8)Cd(sub 0.2)Te melt were measured as a function of temperature. A pycnometric method was used to measure the melt density in the temperature range of 1072 to 1122 K. The viscosity and electrical conductivity were simultaneously determined using a transient torque method from 1068 to 1132 K. The density result from this study is within 0.3% of the published data. However, the current viscosity result is approximately 30% lower than the existing data. The electrical conductivity of Hg(sub o.8)Cd(sub 0.2)Te melt as a function of temperature, which is not available in the literature, is also determined. The analysis of the temperature dependent electrical conductivity and the relationship between the kinematic viscosity and density indicated that the structure of the melt appeared to be homogeneous when the temperature was above 1090 K. A structural transition occurred in the Hg(sub 0.8)Cd(0.2)Te melt as the temperature was decreased from 1090 K to the liquidus temperature.

Crystal structure of bis(3-bromomesityl(quinolin-1-ium-8-ylboron(III tribromide

Directory of Open Access Journals (Sweden)

Jungho Son

2015-09-01

Full Text Available The title compound, C27H26.82BBr2.18N+·Br3−, is a cationic triarylborane isolated as its tribromide salt. The aryl substituents include a protonated 8-quinolyl group and two 3-bromomesityl groups. The molecule was prepared on combination of 3:1 Br2 and dimesityl(quinolin-8-ylborane in hexanes. The refinement of the structure indicated a degree of `over-bromination' (beyond two bromine atoms for the cation. There are two tribromide ions in the asymmetric unit, both completed by crystallographic inversion symmetry.

Testing the 8-syndrome structure of the child behavior checklist in 30 societies

DEFF Research Database (Denmark)

Ivanova, Masha Y; Dobrean, Anca; Dopfner, Manfred

2007-01-01

There is a growing need for multicultural collaboration in child mental health services, training, and research. To facilitate such collaboration, this study tested the 8-syndrome structure of the Child Behavior Checklist (CBCL) in 30 societies. Parents' CBCL ratings of 58,051 6- to 18-year-olds ...

Demand-side management pricing options in electric utilities

International Nuclear Information System (INIS)

Sardana, P.; Herman, P.

1990-01-01

In 1989 Ontario Hydro implemented optional time-of-use (TOU) rates at the wholesale level for all municipal utilities in the province. At the same time, mandatory TOU rates were implemented for large users (customers with loads in excess of 5 MW) served by municipal utilities and Ontario Hydro's direct customers. To fully explore the potential of rate structures as demand-side management (DSM) tools, Ontario Hydro retained a consulting firm to carry out a survey of innovative rate structures in other jurisdications. The survey was intended to identify: the status quo of rate structures in other jurisdictions that were designed specifically to encourage DSM; a profile of the cost basis of the rate structures, for example whether traditional embedded cost of service analyses or contentious methods such as marginal cost pricing were used; whether innovative rates have been successful, and customer reactions and attitudes; and how innovative rates fit into the overall strategy of the utilities. It was found that TOU, interruptible and end-use targeted rates are the rate structures of choice for many utilities. Most are concerned with deferring capacity, reducing peak demand, and shifting load out of peak periods. Most utilities report success with their programs and satisfaction with the present form of the programs. 5 tabs

Crystal structure and magnetic properties of PrCo6.8-xCuxHf0.2 compounds

International Nuclear Information System (INIS)

Luo, J; Liang, J K; Guo, Y Q; Liu, Q L; Liu, F S; Yang, L T; Zhang, Y; Rao, G H

2004-01-01

The effects of Cu substitution on the crystal structure and magnetic properties of PrCo 6.8-x Cu x Hf 0.2 (x = 0-1.0) compounds were investigated by means of x-ray powder diffraction and magnetic measurements. The as-cast PrCo 6.8-x Cu x Hf 0.2 compounds crystallize in the TbCu 7 -type structure with the space group P6/mmm. The Curie temperature and magnetic anisotropy field decrease with increasing Cu content. A spin reorientation behaviour has been observed in the PrCo 6.8-x Cu x Hf 0.2 compounds. The addition of Cu weakens the anisotropy of the Co sublattice, leading to an increase in the spin reorientation temperature with increasing content of Cu

Structure of a pectin methylesterase from Yersinia enterocolitica.

Science.gov (United States)

Boraston, Alisdair B; Abbott, D Wade

2012-02-01

Pectin methylesterases (PMEs) are family 8 carbohydrate esterases (CE8s) which remove the methyl group from methylesterified galacturonic acid (GalA) residues within pectin. Although the role of pectinases such as PMEs within dedicated phytopathogens has been well established, the significance of homologous enzymes found within the genomes of human enteropathogens remains to be determined. Presented here is the low-resolution (3.5 Å) structure of the CE8 from Yersinia enterocolitica (YeCE8). The high degree of structural conservation in the topology of the active-site cleft and catalytic apparatus that is shared with a characterized PME from a bacterial phytopathogen (i) indicates that YeCE8 is active on methylated pectin and (ii) highlights a more prominent role for pectin utilization in Yersinia than in other enteropathogenic species.

The large Debye-Scherrer camera installed at SPring-8 BL02B2 for charge density studies

CERN Document Server

Nishibori, E; Kato, K; Sakata, M; Kubota, Y; Aoyagi, S; Kuroiwa, Y; Yamakata, M; Ikeda, N

2001-01-01

The design and performance of a large Debye-Scherrer Camera with imaging plate (IP) as a detector, which was very recently installed at SPring-8, BL02B2, is reported. By taking advantage of high beam quality of SPring-8, the camera enables one a rapid collection of a high counting statistics and high angular resolution powder pattern, which can lead to accurate structure analyses. The camera also provides easy access to structural changes at varied temperatures between 15-1000 K. The camera provides a rapid and accurate powder diffraction system utilizing third generation SR.

Insight into structure and assembly of the nuclear pore complex by utilizing the genome of a eukaryotic thermophile

DEFF Research Database (Denmark)

Amlacher, Stefan; Sarges, Phillip; Flemming, Dirk

2011-01-01

is composed of two large Nups, Nup192 and Nup170, which are flexibly bridged by short linear motifs made up of linker Nups, Nic96 and Nup53. This assembly illustrates how Nup interactions can generate structural plasticity within the NPC scaffold. Our findings therefore demonstrate the utility of the genome...

CNNH_PSS: protein 8-class secondary structure prediction by convolutional neural network with highway.

Science.gov (United States)

Zhou, Jiyun; Wang, Hongpeng; Zhao, Zhishan; Xu, Ruifeng; Lu, Qin

2018-05-08

Protein secondary structure is the three dimensional form of local segments of proteins and its prediction is an important problem in protein tertiary structure prediction. Developing computational approaches for protein secondary structure prediction is becoming increasingly urgent. We present a novel deep learning based model, referred to as CNNH_PSS, by using multi-scale CNN with highway. In CNNH_PSS, any two neighbor convolutional layers have a highway to deliver information from current layer to the output of the next one to keep local contexts. As lower layers extract local context while higher layers extract long-range interdependencies, the highways between neighbor layers allow CNNH_PSS to have ability to extract both local contexts and long-range interdependencies. We evaluate CNNH_PSS on two commonly used datasets: CB6133 and CB513. CNNH_PSS outperforms the multi-scale CNN without highway by at least 0.010 Q8 accuracy and also performs better than CNF, DeepCNF and SSpro8, which cannot extract long-range interdependencies, by at least 0.020 Q8 accuracy, demonstrating that both local contexts and long-range interdependencies are indeed useful for prediction. Furthermore, CNNH_PSS also performs better than GSM and DCRNN which need extra complex model to extract long-range interdependencies. It demonstrates that CNNH_PSS not only cost less computer resource, but also achieves better predicting performance. CNNH_PSS have ability to extracts both local contexts and long-range interdependencies by combing multi-scale CNN and highway network. The evaluations on common datasets and comparisons with state-of-the-art methods indicate that CNNH_PSS is an useful and efficient tool for protein secondary structure prediction.

Na-Li-[V3O8] insertion electrodes: Structures and diffusion pathways

International Nuclear Information System (INIS)

Schindler, Michael; Hawthorne, Frank C.; Alexander, Malcolm A.; Kutluoglu, Rory A.; Mandaliev, Petre; Halden, Norman M.; Mitchell, Roger H.

2006-01-01

The potential insertion-electrode compounds Na 1.2 [V 3 O 8 ] (NaV) and Na 0.7 Li 0.7 [V 3 O 8 ] (NaLiV) were synthesized from mixtures of Na 2 CO 3 , Li 2 CO 3 and V 2 O 5 , which were melted at 750 o and subsequently cooled to room temperature. The structures of NaV and LiV contain sheets of polymerized (VO n ) polyhedra, which are topologically identical to the sheet of polymerized polyhedra in Li 1.2 [V 3 O 8 ] (LiV). Vanadium occurs in three different coordination environments: [2+3] V(1), [2+2+2] V(2) and [1+4+1] V(3). Calculated bond-valence sums indicate that V 4+ occurs preferentially at the V(3) site, which agrees with the general observation that [6]-coordinated V 4+ prefers [1+4+1]-rather than [2+2+2]-coordination. The M-cations Na and Li occur at three distinct sites, M(1), M(2) and M(3) between the vanadate sheets. The M(1)-site is fully occupied and has octahedral coordination. The M(2) sites are partly occupied in NaV and NaLiV, in which they occur in [4]- and [6]-coordination, respectively. Li partly occupies the M(3) site in NaLiV, in which it occurs in [3]-coordination. The M(2) and M(3) sites in NaLiV occur closer to the vanadate sheets than the M(2) sites in NaV and LiV. The shift in these cation positions is a result of the larger distance between the vanadate sheets in NaLiV than in LiV, which forces interstitial Li to move toward one of the vanadate sheets to satisfy its coordination requirements. Bond-valence maps for the interstitial cations Na and Li are presented for NaV, NaLiV and LiV. These maps are used to determine other potential cation positions in the interlayer and to map the regions of the structure where the Na and Li have their bond-valence requirements satisfied. These regions are potential pathways for Na and Li diffusion in these structures, and are used to explain chemical diffusion properties of Na and Li in the Na-Li-[V 3 O 8 ] compounds. - Graphical abstract: Bond-valence map for Li in Na 0.7 Li 0.7 [V 3 O 8 ]. Contour

Conformal and highly luminescent monolayers of Alq3 prepared by gas-phase molecular layer deposition.

Science.gov (United States)

Räupke, André; Albrecht, Fabian; Maibach, Julia; Behrendt, Andreas; Polywka, Andreas; Heiderhoff, Ralf; Helzel, Jonatan; Rabe, Torsten; Johannes, Hans-Hermann; Kowalsky, Wolfgang; Mankel, Eric; Mayer, Thomas; Görrn, Patrick; Riedl, Thomas

2014-01-22

The gas-phase molecular layer deposition (MLD) of conformal and highly luminescent monolayers of tris(8-hydroxyquinolinato)aluminum (Alq3) is reported. The controlled formation of Alq3 monolayers is achieved for the first time by functionalization of the substrate with amino groups, which serve as initial docking sites for trimethyl aluminum (TMA) molecules binding datively to the amine. Thereby, upon exposure to 8-hydroxyquinoline (8-HQ), the self-limiting formation of highly luminescent Alq3 monolayers is afforded. The growth process and monolayer formation were studied and verified by in situ quartz crystal monitoring, optical emission and absorption spectroscopy, and X-ray photoelectron spectroscopy. The nature of the MLD process provides an avenue to coat arbitrarily shaped 3D surfaces and porous structures with high surface areas, as demonstrated in this work for silica aerogels. The concept presented here paves the way to highly sensitive luminescent sensors and dye-sensitized metal oxides for future applications (e.g., in photocatalysis and solar cells).

The high-resolution structure of the Centaurus A nucleus at 2.3 and 8.4 GHz

International Nuclear Information System (INIS)

Meier, D.L.; Preston, R.A.; Morabito, D.D.

1989-01-01

VLBI observations of the nucleus of Centaurus A have been made at two frequencies with an array of five Australian radio telescopes as part of the Southern Hemisphere VLBI Experiment. Observations were made at 2.3 GHz with all five antennas, while only two were employed at 8.4 GHz. At 2.3 GHz seven tracks in the (u,v) plane with coverage of 6-8 hr each were obtained, yielding significant information on the structure of the nuclear jet. At 8.4 GHz a compact unresolved core was detected as well. It is found that the source consists of the compact self-absorbed core, a jet containing a set of three knots extending from 100 to 160 mas from the core, and a very long, narrow component elongated along the same position angle as the knots. The allowable range for the position angle of the jet is 51 + or - 3 deg, in agreement with that of the radio and X-ray structure on arcsecond and arcminute scales. The jet has brightened at 2.3 GHz by about 4 Jy, a factor of nearly 3, since the early 1970s, 1.8 Jy of which has occurred in the last 2 yr with no discernable changes in structure. 21 refs

Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8

Energy Technology Data Exchange (ETDEWEB)

Wang, Chengliang [University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026, People’s Republic of (China); Chinese Academy of Sciences, Hefei, Anhui 230026, People’s Republic of (China); Zhang, Qiongdi [University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026, People’s Republic of (China); Hang, Tianrong [University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026, People’s Republic of (China); Chinese Academy of Sciences, Hefei, Anhui 230026, People’s Republic of (China); Tao, Yue [Shanghai Children’s Medical Center, 1678 Dongfang Road, Pudong, Shanghai 200120, People’s Republic of (China); Ma, Xukai [University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026, People’s Republic of (China); Wu, Minhao; Zhang, Xuan, E-mail: xuanzbin@ustc.edu.cn; Zang, Jianye, E-mail: xuanzbin@ustc.edu.cn [University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui 230026, People’s Republic of (China); Chinese Academy of Sciences, Hefei, Anhui 230026, People’s Republic of (China)

2015-08-28

The structure of the complex of NO66 and Rpl8 was solved in the native state and NO66 recognizes the consensus motif NHXH . Tetramerization is required for efficient substrate binding and catalysis by NO66. The JmjC domain-containing proteins belong to a large family of oxygenases possessing distinct substrate specificities which are involved in the regulation of different biological processes, such as gene transcription, RNA processing and translation. Nucleolar protein 66 (NO66) is a JmjC domain-containing protein which has been reported to be a histone demethylase and a ribosome protein 8 (Rpl8) hydroxylase. The present biochemical study confirmed the hydroxylase activity of NO66 and showed that oligomerization is required for NO66 to efficiently catalyze the hydroxylation of Rpl8. The structures of NO66{sup 176–C} complexed with Rpl8{sup 204–224} in a tetrameric form and of the mutant protein M2 in a dimeric form were solved. Based on the results of structural and biochemical analyses, the consensus sequence motif NHXH recognized by NO66 was confirmed. Several potential substrates of NO66 were found by a BLAST search according to the consensus sequence motif. When binding to substrate, the relative positions of each subunit in the NO66 tetramer shift. Oligomerization may facilitate the motion of each subunit in the NO66 tetramer and affect the catalytic activity.

Low-lying states and structure of the exotic 8He via direct reactions on the proton

International Nuclear Information System (INIS)

Skaza, F.; Lapoux, V.; Keeley, N.; Alamanos, N.; Auger, F.; Beaumel, D.; Becheva, E.; Blumenfeld, Y.; Delaunay, F.; Drouart, A.; Gillibert, A.; Giot, L.; Khan, E.; Nalpas, L.; Pakou, A.; Pollacco, E.; Raabe, R.; Roussel-Chomaz, P.; Rusek, K.; Scarpaci, J.-A.; Sida, J.-L.; Stepantsov, S.; Wolski, R.

2007-01-01

The structure of the light exotic nucleus 8 He was investigated using direct reactions of the 8 He SPIRAL beam on a proton-rich target. The (p,p') scattering to the 2 1 + state, the (p,d) 7 He and (p,t) 6 He transfer reactions, were measured at the energy E lab =15.7 A.MeV. The light charged particles (p,d,t) were detected in the MUST Si-strip telescope array. The excitation spectrum of 8 He was extracted from the (p,p') reaction. Above the known 2 1 + excited state at 3.6 MeV, a second resonance was found around 5.4 MeV. The cross sections were analyzed within the coupled-reaction channels framework, using microscopic potentials. It is inferred that the 8 He ground state has a more complex neutron-skin structure than suggested by previous α+4n models assuming a pure (1p 3/2 ) 4 configuration

A Utility Model for Teaching Load Decisions in Academic Departments.

Science.gov (United States)

Massey, William F.; Zemsky, Robert

1997-01-01

Presents a utility model for academic department decision making and describes the structural specifications for analyzing it. The model confirms the class-size utility asymmetry predicted by the authors' academic rachet theory, but shows that marginal utility associated with college teaching loads is always negative. Curricular structure and…

Properties and crystal structure of methylenetetrahydrofolate reductase from Thermus thermophilus HB8.

Directory of Open Access Journals (Sweden)

Sayaka Igari

Full Text Available Methylenetetrahydrofolate reductase (MTHFR is one of the enzymes involved in homocysteine metabolism. Despite considerable genetic and clinical attention, the reaction mechanism and regulation of this enzyme are not fully understood because of difficult production and poor stability. While recombinant enzymes from thermophilic organisms are often stable and easy to prepare, properties of thermostable MTHFRs have not yet been reported.MTHFR from Thermus thermophilus HB8, a homologue of Escherichia coli MetF, has been expressed in E. coli and purified. The purified MTHFR was chiefly obtained as a heterodimer of apo- and holo-subunits, that is, one flavin adenine dinucleotide (FAD prosthetic group bound per dimer. The crystal structure of the holo-subunit was quite similar to the β(8α(8 barrel of E. coli MTHFR, while that of the apo-subunit was a previously unobserved closed form. In addition, the intersubunit interface of the dimer in the crystals was different from any of the subunit interfaces of the tetramer of E. coli MTHFR. Free FAD could be incorporated into the apo-subunit of the purified Thermus enzyme after purification, forming a homodimer of holo-subunits. Comparison of the crystal structures of the heterodimer and the homodimer revealed different intersubunit interfaces, indicating a large conformational change upon FAD binding. Most of the biochemical properties of the heterodimer and the homodimer were the same, except that the homodimer showed ≈50% activity per FAD-bound subunit in folate-dependent reactions.The different intersubunit interfaces and rearrangement of subunits of Thermus MTHFR may be related to human enzyme properties, such as the allosteric regulation by S-adenosylmethionine and the enhanced instability of the Ala222Val mutant upon loss of FAD. Whereas E. coli MTHFR was the only structural model for human MTHFR to date, our findings suggest that Thermus MTHFR will be another useful model for this important enzyme.

Light emission in forward and reverse bias operation in OLED with amorphous silicon carbon nitride thin films

Science.gov (United States)

Reyes, R.; Cremona, M.; Achete, C. A.

2011-01-01

Amorphous silicon carbon nitride (a-SiC:N) thin films deposited by magnetron sputtering were used in the structure of an organic light emitting diode (OLED), obtaining an OLED operating in forward and reverse bias mode. The device consist of the heterojunction structure ITO/a-SiC:N/Hole Transport Layer (HTL)/ Electron Transport Layer (ETL)/a-SiC:N/Al. As hole transporting layer was used a thin film of 1-(3-methylphenyl)-1,2,3,4 tetrahydroquinoline - 6 - carboxyaldehyde - 1,1'- diphenylhydrazone (MTCD), while the tris(8-hydroxyquinoline aluminum) (Alq3) is used as electron transport and emitting layer. A significant increase in the voltage operation compared to the conventional ITO/MTCD/Alq3/Al structure was observed, so the onset of electroluminescence occurs at about 22 V in the forward and reverse bias mode of operation. The electroluminescence spectra is similar in both cases, only slightly shifted 0.14 eV to lower energies in relation to the conventional device.

Light emission in forward and reverse bias operation in OLED with amorphous silicon carbon nitride thin films

Energy Technology Data Exchange (ETDEWEB)

Reyes, R [Facultad de Ingenieria Quimica y Textil, Universidad Nacional de Ingenieria, Av. Tupac Amaru SN, Lima (Peru); Cremona, M [Departamento de Fisica, PontifIcia Universidade Catolica de Rio de Janeiro, PUC-Rio, Cx. Postal 38071, Rio de Janeiro, RJ, CEP 22453-970 (Brazil); Achete, C A, E-mail: rreyes@uni.edu.pe [Departamento de Engenheria Metalurgica e de Materiais, Universidade Federal do Rio de Janeiro, Cx. Postal 68505, Rio de Janeiro, RJ, CEP 21945-970 (Brazil)

2011-01-01

Amorphous silicon carbon nitride (a-SiC:N) thin films deposited by magnetron sputtering were used in the structure of an organic light emitting diode (OLED), obtaining an OLED operating in forward and reverse bias mode. The device consist of the heterojunction structure ITO/a-SiC:N/Hole Transport Layer (HTL)/ Electron Transport Layer (ETL)/a-SiC:N/Al. As hole transporting layer was used a thin film of 1-(3-methylphenyl)-1,2,3,4 tetrahydroquinoline - 6 - carboxyaldehyde - 1,1'- diphenylhydrazone (MTCD), while the tris(8-hydroxyquinoline aluminum) (Alq{sub 3}) is used as electron transport and emitting layer. A significant increase in the voltage operation compared to the conventional ITO/MTCD/Alq{sub 3}/Al structure was observed, so the onset of electroluminescence occurs at about 22 V in the forward and reverse bias mode of operation. The electroluminescence spectra is similar in both cases, only slightly shifted 0.14 eV to lower energies in relation to the conventional device.

Light emission in forward and reverse bias operation in OLED with amorphous silicon carbon nitride thin films

International Nuclear Information System (INIS)

Reyes, R; Cremona, M; Achete, C A

2011-01-01

Amorphous silicon carbon nitride (a-SiC:N) thin films deposited by magnetron sputtering were used in the structure of an organic light emitting diode (OLED), obtaining an OLED operating in forward and reverse bias mode. The device consist of the heterojunction structure ITO/a-SiC:N/Hole Transport Layer (HTL)/ Electron Transport Layer (ETL)/a-SiC:N/Al. As hole transporting layer was used a thin film of 1-(3-methylphenyl)-1,2,3,4 tetrahydroquinoline - 6 - carboxyaldehyde - 1,1'- diphenylhydrazone (MTCD), while the tris(8-hydroxyquinoline aluminum) (Alq 3 ) is used as electron transport and emitting layer. A significant increase in the voltage operation compared to the conventional ITO/MTCD/Alq 3 /Al structure was observed, so the onset of electroluminescence occurs at about 22 V in the forward and reverse bias mode of operation. The electroluminescence spectra is similar in both cases, only slightly shifted 0.14 eV to lower energies in relation to the conventional device.

Local government and utility firms’ debts

Directory of Open Access Journals (Sweden)

Marko Primorac

2011-12-01

Full Text Available The global financial crisis has affected the Croatian local public sector. In such circumstances, local government units’ debts and borrowing should be approached with caution. The highly interwoven financial operations of local government units and their utilities indicate the need for analysis of consolidated financial statements of local governments and utility companies in order to gain an insight into the real financial “health” of local units. Accordingly, the main aim of this paper is to analyze the size and the structure of the consolidated (local government and utility companies local public debt in Croatia. Accordingly, the paper presents the financial position of local government units supplemented with information on the financial operations of utility companies, with particular emphasis on the size and structure of their liabilities and gross and net debt. Although the current Budget Law does not require formal preparation of consolidated financial statements by local governments and their utility firms, consolidation is stipulated by International Public Sector Accounting Standards (IPSAS. The application of IPSAS regulations would be helpful in determining overall direct and indirect exposure of local government units arising from the financial operations of their utilities.

Controlled Self-Assembly of Low-Dimensional Alq3 Nanostructures from 1D Nanowires to 2D Plates via Intermolecular Interactions

Science.gov (United States)

Gu, Jianmin; Yin, Baipeng; Fu, Shaoyan; Jin, Cuihong; Liu, Xin; Bian, Zhenpan; Li, Jianjun; Wang, Lu; Li, Xiaoyu

2018-03-01

Due to the intense influence of the shape and size of the photon building blocks on the limitation and guidance of optical waves, an important strategy is the fabrication of different structures. Herein, organic semiconductor tris-(8-hydroxyquinoline)aluminium (Alq3) nanostructures with controllable morphology, ranging from one-dimensional nanowires to two-dimensional plates, have been prepared through altering intermolecular interactions with employing the anti-solvent diffusion cooperate with solvent-volatilization induced self-assembly method. The morphologies of the formed nanostructures, which are closely related to the stacking modes of the molecules, can be exactly controlled by altering the polarity of anti-solvents that can influence various intermolecular interactions. The synthesis strategy reported here can potentially be extended to other functional organic nanomaterials.

Structural Context Effects in the Oxidation of 8-Oxo-7,8-dihydro-2’-deoxyguanosine to Hydantoin Products: Electrostatics, Base Stacking, and Base Pairing

Science.gov (United States)

Fleming, Aaron M.; Muller, James G.; Dlouhy, Adrienne C.; Burrows, Cynthia J.

2012-01-01

8-Oxo-7,8-dihydroguanine (OG) is the most common base damage found in the cell where it resides in many structural contexts including the nucleotide pool, single-stranded DNA at transcription forks and replication bubbles, and in duplex DNA base paired with either A or C. OG is prone to further oxidation to the highly mutagenic hydantoin products, spiroiminodihydantoin (Sp) and 5-guanidinohydantoin (Gh) in a sharply pH-dependent fashion within nucleosides. In the present work, studies were conducted to determine how the structural context affects OG oxidation to the hydantoins. These studies revealed a trend in which the Sp yield was greatest in unencumbered contexts, such as nucleosides, while the Gh yield increased in oligodeoxynucleotide (ODN) contexts or at reduced pH. Oxidation of oligomers containing hydrogen bond modulators (2,6-diaminopurine, N4-ethylcytidine) or alteration of the reaction conditions (pH, temperature, and salt) identify base stacking, electrostatics and base pairing as the drivers of the key intermediate 5-hydroxy-8-oxo-7,8-dihydroguanine (5-HO-OG) partitioning along the two hydantoin pathways, allowing us to propose a mechanism for the observed base pairing effects. Moreover, these structural effects cause an increase in the effective pKa of 5-HO-OG following an increasing trend from 5.7 in nucleosides to 7.7 in a duplex bearing an OG•C base pair, which supports the context-dependent product yields. The high yield of Gh in ODNs underscores the importance of further study on this lesion. The structural context of OG also determined its relative reactivity toward oxidation for which the OG•A base pair is ~2.5-fold more reactive than an OG•C base pair, and with the weak one-electron oxidant ferricyanide, the OG nucleoside reactivity is >6000-fold greater than that of OG•C in a duplex, leading to the conclusion that OG in the nucleoside pool should act as a protective agent for OG in the genome. PMID:22880947

Investigation on integrity of JMTR concrete structures, cooling system and utility facilities

International Nuclear Information System (INIS)

Ebisawa, Hiroyuki; Tobita, Kenji; Fukasaku, Akitomi; Kaminaga, Masanori

2010-02-01

The condition of facilities and components to be used for re-operation of the Japan Materials Testing Reactor (JMTR) from FY2011, was investigated before the refurbishment work. An investigation of aged components (aged-investigation) was carried out for concrete structures of the JMTR reactor building, exhaust stack, trench, canal, filter banks and for aged components of tanks in the primary cooling system, heat exchangers, pipes in the secondary cooling system, cooling tower, emergency generators and so on, in order to identify their integrity. The aged-investigation was carried out from the beginning of FY2007. As a result, cracks of concrete structures such as the exhaust stack, a foundation of the UCL (Utility Cooling Line) elevated water tank were repaired and pipe linings of secondary cooling system were replaced. Motors of primary cooling pumps, pumps in the secondary cooling system and in other systems were decided to replace from viewpoints of future maintenance and improvement of reliability. Other components and the reactor building were decided to use continuously for a long-term by appropriate maintenance activities based on the long-term maintenance plan. In this paper, the aged-investigation for the JMTR reactor building, heat exchangers and emergency generators is presented. (author)

Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer.

Science.gov (United States)

Ross, Breyan; Krapp, Stephan; Augustin, Martin; Kierfersauer, Reiner; Arciniega, Marcelino; Geiss-Friedlander, Ruth; Huber, Robert

2018-02-13

Dipeptidyl peptidases 8 and 9 are intracellular N-terminal dipeptidyl peptidases (preferentially postproline) associated with pathophysiological roles in immune response and cancer biology. While the DPP family member DPP4 is extensively characterized in molecular terms as a validated therapeutic target of type II diabetes, experimental 3D structures and ligand-/substrate-binding modes of DPP8 and DPP9 have not been reported. In this study we describe crystal and molecular structures of human DPP8 (2.5 Å) and DPP9 (3.0 Å) unliganded and complexed with a noncanonical substrate and a small molecule inhibitor, respectively. Similar to DPP4, DPP8 and DPP9 molecules consist of one β-propeller and α/β hydrolase domain, forming a functional homodimer. However, they differ extensively in the ligand binding site structure. In intriguing contrast to DPP4, where liganded and unliganded forms are closely similar, ligand binding to DPP8/9 induces an extensive rearrangement at the active site through a disorder-order transition of a 26-residue loop segment, which partially folds into an α-helix (R-helix), including R160/133, a key residue for substrate binding. As vestiges of this helix are also seen in one of the copies of the unliganded form, conformational selection may contributes to ligand binding. Molecular dynamics simulations support increased flexibility of the R-helix in the unliganded state. Consistently, enzyme kinetics assays reveal a cooperative allosteric mechanism. DPP8 and DPP9 are closely similar and display few opportunities for targeted ligand design. However, extensive differences from DPP4 provide multiple cues for specific inhibitor design and development of the DPP family members as therapeutic targets or antitargets.

Development of radiation resistant structural materials utilizing fission research reactors in Japan (Role of research reactors)

International Nuclear Information System (INIS)

Shikama, T.; Tanigawa, H.; Nozawa, T.; Muroga, T.; Aoyama, T.; Kawamura, H.; Ishihara, M.; Ito, C.; Kaneda, S.; Mimura, S.

2009-01-01

Structural materials for next-generation nuclear power systems should have a good radiation resistance, where the expected accumulation dose will largely exceed 10 dpa. Among several candidate materials, materials of five categories, 1. Austenitic steels, including high nickel alloys, 2. Low activation ferritic martensitic steels, 3. ODS steels (austenitic and ferritic), 4. Vanadium based alloys, 5. Silicon carbide composites (SiC/SiCf). All have been most extensively studied in Japan, in collaboration among industries, national institutes such as Japan Atomic Energy Agency (JAEA), National Institute for Fusion Science (NIFS) and National Institute for Materials Science (NIMS), and universities. The high nickel base alloys were studied for their low swelling behaviors mainly by the NIMS and the austenitic steels are studied for their reliable engineering data base and their reliable performance in irradiation environments mainly by the JAEA, mainly for their application in the near-term projects such as the ITER and the Sodium Cooled Fast Reactors. The most extensive studies are now concentrated on the Low Activation Ferritic Marsensitic steels and ODS steels, for their application in a demonstration fusion reactor and prototype sodium cooled fast reactors. Fundamental studies on radiation effects are carried out, mainly utilizing Japan Materials Testing Rector (JMTR) with its flexible irradiation ability, up to a few dpa. For higher dpa irradiation, a fast test reactor, JOYO is utilized up to several 10s dpa. Some international collaborations such as Japan/USA and Japan/France are effective to utilize reactors abroad, such as High Flux Isotope Reactor (HFIR) of Oak Ridge National Laboratory, and sodium cooled high flux fast reactors in France. Silicon carbide based composites are extensively studied by university groups led by Kyoto University and the JAEA. For their performance in heavy irradiation environments, the Japan/USA collaboration plays an important role

Distribution, utilization structure and potential of biomass resources in rural China: With special references of crop residues

Energy Technology Data Exchange (ETDEWEB)

Liu, H [Laboratory of Quantitative Vegetation Ecology, Institute of Botany, Chinese Academy of Sciences, 20 Nanxincun, Xiangshan, Beijing 100093 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Jiang, G M [Laboratory of Quantitative Vegetation Ecology, Institute of Botany, Chinese Academy of Sciences, 20 Nanxincun, Xiangshan, Beijing 100093 (China); Agronomy Department, Shandong Agricultural University, Tai' an 271018, Shandong Province (China); Zhuang, H Y [National Bio-Energy CO., LTD, No. 26B, Financial Street, Xicheng District, Beijing 100032 (China); Shandong Academy of Sciences, No. 19, Keyuan Road, Ji' nan 250014, Shandong Province (China); Wang, K J [Agronomy Department, Shandong Agricultural University, Tai' an 271018, Shandong Province (China)

2008-06-15

As the largest developing country in the world, China is urgently in short of energy and natural resources. However, biological resources such as crop residues are burnt in the field, which cause serious environmental pollution. Still it is not clear how much storage and potential of these huge crop residues are in China. This paper firstly reported the distribution, utilization structure and potential of crop biomass and provided the tangible information of crop residues in rural China through careful collecting and recalculating data. From 1995 to 2005, China produces some 630 million tons of crop residues per year, 50% of which comes from east and central south of China. The amount of crop residues is 1.3 times of the total yield of crops, 2 times of the total fodder of grassland, which covers 41% of China's territory. Crop residues of corn, wheat and rice amounted to 239, 137 and 116 million tons, respectively, accounting for nearly 80% of the total crop residues. Unfortunately, the utilizing structure is seriously improper for such abundant biomass resources. Although 23% of the crop residues are used for forage, 4% for industry materials and 0.5% for biogas, the large parts are used with lower efficiency or wasted, with 37% being directly combusted by farmers, 15% lost during collection and the rest 20.5% discarded or directly burnt in the field. Reasonable adjustment of the utilizing pattern and popularization of the recycling agriculture are essential out-ways for residues, with the development of the forage industry being the breakthrough point. We suggested that utilizing the abandoned 20.5% of the total residues for forage and combining agriculture and stock raising can greatly improve the farm system and cut down fertilizer pollution. Through the development of forage industries, the use efficiency of crop residues could be largely enhanced. Commercializing and popularizing technologies of biomass gasification and liquefaction might be substitute

Radionuclide X-ray fluorescence determination of Mn, Fe, Cu, Zn and Pb in wastewaters and sludges from wastewater treatment plants in Bratislava (SR)

International Nuclear Information System (INIS)

Harangozo, M.; Toelgyessy, J.

1997-01-01

Radiometric X-ray fluorescence analysis was used for the determination of Mn, Fe, Cu, Zn and Pb in wastewater and sludges from three wastewater treatment plants in Bratislava (SR). Metals were determined in wastewaters after preconcentration by 8-hydroxyquinoline and in sludges by drying and pressing to pellets. 238 Pu and 109 Cd was used for excitation of fluorescence radiation. (author)

Insights into the structural characteristics and substrate binding analysis of chondroitin AC lyase (PsPL8A) from Pedobacter saltans.

Science.gov (United States)

Rani, Aruna; Dhillon, Arun; Sharma, Kedar; Goyal, Arun

2018-04-01

The structure of chondroitin AC lyase (PsPL8A) of family 8 polysaccharide lyase was characterized. Modeled PsPL8A structure showed, it contains N-terminal (α/α) 6 incomplete toroidal fold and a layered β sandwich structure at C-terminal. Ramchandran plot displayed 98.5% residues in favoured and 1.2% in generously allowed region. Secondary structure of PsPL8A by CD revealed 27.31% α helices 22.7% β sheets and 49.9% random coils. Protein melting study showed, PsPL8A completely unfolds at 60°C. SAXS analysis showed, PsPL8A is fully folded in solution form. The ab initio derived dummy model of PsPL8A superposed well with its modeled structure excluding some α-helices and loop region. Structural superposition and docking analysis showed, N153, W105, H203, Y208, Y212, R266 and E349 were involved in catalysis. Mutants N153A, H203A, Y212F, R266A and E349A created by SDM revealed no residual activity. Isothermal titration calorimetry analysis of Y212F and H203A with C4S polysaccharide, showed moderate binding by Y212F (Ka=9.56±3.81×10 5 ) and no binding with H203A, showing active contribution of Y212 in substrate binding. Residues Y212 and H203 or R266 might act as general base and general acid respectively. Residues N153 and E349 are likely contributing in charge neutralization and stabilizing enolate anion intermediate during β-elimination. Copyright © 2017 Elsevier B.V. All rights reserved.

Structural wood products in onshore buildings at Naval Station Norfolk, 2000.

Science.gov (United States)

David B. McKeever

2003-01-01

As of December 31, 2000, there were 603 buildings at Naval Station (NAVSTA) Norfolk with a combined floor area of nearly 17.3 million ft2. In one-third of these buildings, structural wood products were used in one or more major structural building applications, utilizing an estimated 11.6 million board feet of lumber, 0.4 million ft2 (3/8-in. basis) of structural...

Testing the 8-Syndrome Structure of the Child Behavior Checklist in 30 Societies

Science.gov (United States)

Ivanova, Masha Y.; Dobrean, Anca; Dopfner, Manfred; Erol, Nese; Fombonne, Eric; Fonseca, Antonio Castro; Frigerio, Alessandra; Grietens, Hans; Hannesdottir, Helga; Kanbayashi, Yasuko; Lambert, Michael; Achenbach, Thomas M.; Larsson, Bo; Leung, Patrick; Liu, Xianchen; Minaei, Asghar; Mulatu, Mesfin S.; Novik, Torunn S.; Oh, Kyung Ja; Roussos, Alexandra; Sawyer, Michael; Simsek, Zeynep; Dumenci, Levent; Steinhausen, Hans-Christoph; Metzke, Christa Winkler; Wolanczyk, Tomasz; Yang, Hao-Jan; Zilber, Nelly; Zukauskiene, Rita; Verhulst, Frank C.; Rescorla, Leslie A.; Almqvist, Fredrik; Weintraub, Sheila; Bilenberg, Niels; Bird, Hector; Chen, Wei J.

2007-01-01

There is a growing need for multicultural collaboration in child mental health services, training, and research. To facilitate such collaboration, this study tested the 8-syndrome structure of the Child Behavior Checklist (CBCL) in 30 societies. Parents' CBCL ratings of 58,051 6- to 18-year-olds were subjected to confirmatory factor analyses,…

Distortion of 3D SU8 photonic structures fabricated by four-beam holographic lithography withumbrella configuration.

Science.gov (United States)

Zhu, Xuelian; Xu, Yongan; Yang, Shu

2007-12-10

We present a quantitative study of the distortion from a threeterm diamond-like structure fabricated in SU8 polymer by four-beam holographic lithography. In the study of the refraction effect, theory suggests that the lattice in SU8 should be elongated in the [111] direction but have no distortion in the (111) plane, and each triangular-like hole array in the (111) plane would rotate by ~30 degrees away from that in air. Our experiments agree with the prediction on the periodicity in the (111) plane and the rotation due to refraction effect, however, we find that the film shrinkage during lithographic process has nearly compensated the predicted elongation in the [111] direction. In study of photonic bandgap (PBG) properties of silicon photonic crystals templated by the SU8 structure, we find that the distortion has decreased quality of PBG.

Nuclear resonant scattering beamline at SPring-8

Energy Technology Data Exchange (ETDEWEB)

Harami, Taikan [Japan Atomic Energy Research Inst., Kamigori, Hyogo (Japan). Kansai Research Establishment

1996-04-01

Mainly by Japan Atomic Energy Research Institute, the Institute of Physical and Chemical Research and Japan Synchrotron Radiation Research Institute, the construction of the Super Photon ring-8 GeV (SPring-8) which is the large scale synchrotron radiation facility for a high luminance light source placing emphasis on short wavelength region (shorter than about 1 nm) is in progress at the Harima Science Park City, Hyogo Prefecture. The features of the SPring-8 are the high luminance of light, the good parallelism and directionality of light, the quasi-monochromatic light with variable wavelength, and the possibility of design from straight polarization to circular polarization. The injection system that accelerates electrons up to 8 GeV and the storage ring storing the 8 GeV electrons for long hours, and 61 beamlines are explained. The manufacture of the nuclear resonant scattering beamline as the beamline for joint utilization was begun. Its transport channel and the experiment hutch are shown. By the features of undulator synchrotron radiation, the research on the matters with small recoilless fraction such as biological substances, liquid, gas and others and the research on time-dependent phenomena become feasible anew. The research on the dynamic structural analysis of heme protein is planned. (K.I.)

Crystal structure and properties of tetragonal EuAg4In8 grown by metal flux technique

International Nuclear Information System (INIS)

Subbarao, Udumula; Sarkar, Sumanta; Peter, Sebastian C.

2015-01-01

The compound EuAg 4 In 8 has been obtained as single crystals in high yield from reactions run in liquid indium. X-ray diffraction on single crystals suggests that EuAg 4 In 8 crystallizes in the CeMn 4 Al 8 structure type, tetragonal space group I4/mmm with lattice constants a=b=9.7937(2) Å and c=5.7492(2) Å. Crystal structure of EuAg 4 In 8 is composed of pseudo Frank–Kasper cages occupied by one europium atom in each ring, which are shared through the corner along the ab plane resulting in a three dimensional network. The magnetic susceptibility of EuAg 4 In 8 was measured in the temperature range 2–300 K, which obeyed Curie–Weiss law above 50 K. Magnetic moment value calculated from the fitting indicates the presence of divalent europium, which was confirmed by X-ray absorption near edge spectroscopy. Electrical resistivity measurements suggest that EuAg 4 In 8 is metallic in nature with a probable Fermi liquid behavior at low temperature. - Graphical abstract: The tetragonal EuAg 4 In 8 has been grown as single crystals from reactions run in liquid indium. Magnetic and XANES measurements suggest divalent nature of Eu and resistivity measurements suggest metallic nature. - Highlights: • EuAg 4 In 8 phase having tetragonal phase is grown by metal flux technique. • Magnetic and XANES measurements exhibit divalent nature of Eu in EuAg 4 In 8 . • Resistivity measurement suggests metallic nature and probable Fermi liquid behavior

Conceptual design and structural analysis for an 8.4-m telescope

Science.gov (United States)

Mendoza, Manuel; Farah, Alejandro; Ruiz Schneider, Elfego

2004-09-01

This paper describes the conceptual design of the optics support structures of a telescope with a primary mirror of 8.4 m, the same size as a Large Binocular Telescope (LBT) primary mirror. The design goal is to achieve a structure for supporting the primary and secondary mirrors and keeping them joined as rigid as possible. With this purpose an optimization with several models was done. This iterative design process includes: specifications development, concepts generation and evaluation. Process included Finite Element Analysis (FEA) as well as other analytical calculations. Quality Function Deployment (QFD) matrix was used to obtain telescope tube and spider specifications. Eight spiders and eleven tubes geometric concepts were proposed. They were compared in decision matrixes using performance indicators and parameters. Tubes and spiders went under an iterative optimization process. The best tubes and spiders concepts were assembled together. All assemblies were compared and ranked according to their performance.

Radio frequency magnetron sputter-deposited indium tin oxide for use as a cathode in transparent organic light-emitting diode

International Nuclear Information System (INIS)

Chung, Choong-Heui; Ko, Young-Wook; Kim, Yong-Hae; Sohn, Choong-Yong; Hye Yong Chu; Ko Park, Sang-Hee; Lee, Jin Ho

2005-01-01

Indium tin oxide (ITO) films were prepared by radio frequency magnetron sputtering at room temperature, for use as a cathode in a transparent organic light-emitting diode (TOLED). To minimize damage to the TOLED by the ITO sputtering process, the target-to-substrate distance was increased to 20 cm. An ITO film deposited at the optimum oxygen partial pressure exhibited an electrical resistivity as low as 4.06 x 10 -4 Ω cm and a high optical transmittance of 91% in the visible range. The film was used as a transparent cathode for a TOLED with structure of an ITO coated glass substrate / Naphthylphenyldiamide (60 nm) / Tris-(8-hydroxyquinoline) aluminum (60 nm) / LiF (1 nm) / Al (2 nm) / Ag (8 nm) / ITO cathode (100 nm). A maximum luminance of 37,000 cd/m 2 was obtained. The device performance was comparable to a conventional OLED

The intellectual structure and substance of the knowledge utilization field: a longitudinal author co-citation analysis, 1945 to 2004.

Science.gov (United States)

Estabrooks, Carole A; Derksen, Linda; Winther, Connie; Lavis, John N; Scott, Shannon D; Wallin, Lars; Profetto-McGrath, Joanne

2008-11-13

It has been argued that science and society are in the midst of a far-reaching renegotiation of the social contract between science and society, with society becoming a far more active partner in the creation of knowledge. On the one hand, new forms of knowledge production are emerging, and on the other, both science and society are experiencing a rapid acceleration in new forms of knowledge utilization. Concomitantly since the Second World War, the science underpinning the knowledge utilization field has had exponential growth. Few in-depth examinations of this field exist, and no comprehensive analyses have used bibliometric methods. Using bibliometric analysis, specifically first author co-citation analysis, our group undertook a domain analysis of the knowledge utilization field, tracing its historical development between 1945 and 2004. Our purposes were to map the historical development of knowledge utilization as a field, and to identify the changing intellectual structure of its scientific domains. We analyzed more than 5,000 articles using citation data drawn from the Web of Science. Search terms were combinations of knowledge, research, evidence, guidelines, ideas, science, innovation, technology, information theory and use, utilization, and uptake. We provide an overview of the intellectual structure and how it changed over six decades. The field does not become large enough to represent with a co-citation map until the mid-1960s. Our findings demonstrate vigorous growth from the mid-1960s through 2004, as well as the emergence of specialized domains reflecting distinct collectives of intellectual activity and thought. Until the mid-1980s, the major domains were focused on innovation diffusion, technology transfer, and knowledge utilization. Beginning slowly in the mid-1980s and then growing rapidly, a fourth scientific domain, evidence-based medicine, emerged. The field is dominated in all decades by one individual, Everett Rogers, and by one paradigm

Review of Energy Harvesters Utilizing Bridge Vibrations

Directory of Open Access Journals (Sweden)

Farid Ullah Khan

2016-01-01

Full Text Available For health monitoring of bridges, wireless acceleration sensor nodes (WASNs are normally used. In bridge environment, several forms of energy are available for operating WASNs that include wind, solar, acoustic, and vibration energy. However, only bridge vibration has the tendency to be utilized for embedded WASNs application in bridge structures. This paper reports on the recent advancements in the area of vibration energy harvesters (VEHs utilizing bridge oscillations. The bridge vibration is narrowband (1 to 40 Hz with low acceleration levels (0.01 to 3.8 g. For utilization of bridge vibration, electromagnetic based vibration energy harvesters (EM-VEHs and piezoelectric based vibration energy harvesters (PE-VEHs have been developed. The power generation of the reported EM-VEHs is in the range from 0.7 to 1450000 μW. However, the power production by the developed PE-VEHs ranges from 0.6 to 7700 μW. The overall size of most of the bridge VEHs is quite comparable and is in mesoscale. The resonant frequencies of EM-VEHs are on the lower side (0.13 to 27 Hz in comparison to PE-VEHs (1 to 120 Hz. The power densities reported for these bridge VEHs range from 0.01 to 9539.5 μW/cm3 and are quite enough to operate most of the commercial WASNs.

Quantitative appraisal and potential analysis for primary biomass resources for energy utilization in China

Energy Technology Data Exchange (ETDEWEB)

Yanli, Yang; Peidong, Zhang; Yonghong, Zheng; Lisheng, Wang [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of science, Qingdao 266101 (China); Wenlong, Zhang; Yongsheng, Tian [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of science, Qingdao 266101 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China)

2010-12-15

As the largest agricultural country, China has abundant biomass resources, but the distribution is scattered and difficult to collect. It is essential to estimate the biomass resource and its potential for bioenergy utilization in China. In this study, the amount of main biomass resources for possible energy use and their energy utilization potential in China are analyzed based on statistical data. The results showed that the biomass resource for possible energy use amounted to 8.87 x 10{sup 8} tce in 2007 of which the crops straw is 1.42 x 10{sup 8} tce, the forest biomass is 2.85 x 10{sup 8} tce, the poultry and livestock manure is 4.40 x 10{sup 7} tce, the municipal solid waste is 1.35 x 10{sup 6} tce, and the organic waste water is 6.46 x 10{sup 6} tce. Through the information by thematic map, it is indicated that, except arctic-alpine areas and deserts, the biomass resource for possible energy use was presented a relatively average distribution in China, but large gap was existed in different regions in the concentration of biomass resources, with the characteristics of East dense and West sparse. It is indicated that the energy transformation efficiency of biomass compressing and shaping, biomass anaerobic fermentation and biomass gasification for heating have higher conversion efficiency. If all of the biomass resources for possible energy use are utilized by these three forms respectively, 7.66 x 10{sup 12} t of biomass briquettes fuel, 1.98 x 10{sup 12} m{sup 3} of low calorific value gas and 3.84 x 10{sup 11} m{sup 3} of biogas could be produced, 3.65 x 10{sup 8} t to 4.90 x 10{sup 8} t of coal consumption could be substituted, and 6.12 x 10{sup 8} t to 7.53 x 10{sup 8} t of CO{sub 2} emissions could be reduced. With the enormous energy utilization potential of biomass resources and the prominent benefit of energy saving and emission reduction, it proves an effective way to adjust the energy consumption structure, to alleviate the energy crisis, to ensure

A thermochemical study on the coordination complex of cerium trichloroacetic acid with 8-hydroxyquinoline

International Nuclear Information System (INIS)

Li Qiangguo; Qu Songsheng; Liu Yi

2003-01-01

The standard molar reaction enthalpies of two reactions, CeCl 3 ·7H 2 O(s) + 3CCl 3 COOH(s)(or TCA) = Ce(TCA) 3 ·3H 2 O(s) + 3HCl(g) + 4H 2 O(l) and Ce(TCA) 3 ·3H 2 O(s) + 2C 9 H 7 NO(s) Ce(TCA)(C 9 H 6 NO) 2 (s) + 2CCl 3 COOH(s) + 3H 2 O(l), were studied by classical solution calorimetry at 298.15 K. The molar dissolution enthalpies of the reactants and the products in certain solvent (the first reaction in 1 mol/l HCl, the second in a mixed solution consisting of absolute ethyl alcohol, dimethyl sulfoxide and 4 mol/l HCl) have been measured by using an isoperibolic calorimeter at 298.15 K. From the results and other auxiliary quantities, the standard molar formation enthalpies of [Ce(TCA) 3 ·3H 2 O, s, 298.15 K] and [Ce(TCA)(C 9 H 6 NO) 2 , s, 298.15 K] were determined to be Δ f H m θ [Ce(TCA) 3 ·3H 2 O, s, 298.15 K] = -3059.9 kJ/mol and Δ f H m θ [Ce(TCA)(C 9 H 6 NO) 2 , s, 298.15 K] = -1368.9 kJ/mol

Transactions of the 8th International Conference on Structure Mechanics in Reactor Technology

International Nuclear Information System (INIS)

Browzin, B.S.

1985-06-01

These Transactions of the JK-panel session include preprints of papers or abstracts which are listed in Volume A, ''Introduction, General Contents, Authors Index,'' Proceedings of the 8th International Conference on Structural Mechanics in Reactor Technology. These papers represent the body of the JK-panel session, ''Status of Research in Structural and Mechanical Engineering for Nuclear Power Plants,'' sponsored by the US Nuclear Regulatory Commission. Additional papers are expected at this session, which will be available at the session. The purpose of publishing these Transactions is to inform the participants of the JK-panel session in advance on the papers to be presented and discussed at the session

"CH"/N substituted mer-Gaq3 and mer-Alq3 derivatives: an effective approach for the tuning of emitting color.

Science.gov (United States)

Gahungu, Godefroid; Zhang, Jingping

2005-09-22

Equilibrium geometry configurations of the "CH"/N substituted Alq3 and Gaq3 derivatives are calculated by density functional theory (B3LYP/6-31G). The frontier molecular orbital and gap energy calculations for all complexes have been performed at the HF/6-31G level. It was shown that, compared to the pristine molecules, the HOMO and LUMO are stabilized, the net effect being however an increasing/decreasing of the gap (Eg) depending on the position of the substituted group. On the basis of the equilibrium geometries, the effect of the substitution on the absorption and emission spectra was evaluated using TDB3LYP/3-21G. It was shown that the change of "CH"/N substituted position on 8-hydroxyquinoline ligand is a powerful approach for the tuning of emitting color. An important blue shift was predicted for 5-substituted 8-hydroxyquinoline derivatives, an important red one being observed for 4-substituted ones. Interestingly, relatively significant blue and red shifts were also predicted for the 7- and 2-substituted derivatives. In this work, the correlation between the spectrum shifts and the metal-ligand bonding is also discussed.

Building with electromagnetic shield structure for individual floors

International Nuclear Information System (INIS)

Takahashi, T.; Nakamura, M.; Yabana, Y.; Ishikawa, T.; Nagata, K.

1991-01-01

This invention relates to a building having a floor-by-floor electromagnetic shield structure well-suited for application to an information network system in which an electromagnetically shielded space is divided by individual floors and electric waves are utilized within the building on a floor-by-floor basis. (author). 8 figs

Building with electromagnetic shield structure for individual floors

Energy Technology Data Exchange (ETDEWEB)

Takahashi, T; Nakamura, M; Yabana, Y; Ishikawa, T; Nagata, K

1991-09-10

This invention relates to a building having a floor-by-floor electromagnetic shield structure well-suited for application to an information network system in which an electromagnetically shielded space is divided by individual floors and electric waves are utilized within the building on a floor-by-floor basis. (author). 8 figs.

Utilizing wideband AMC structures for high-gain inkjet-printed antennas on lossy paper substrate

KAUST Repository

Cook, Benjamin Stassen

2013-01-01

Significant gain and bandwidth improvement of inkjet-printed antennas with integrated artificial magnetic conductor (AMC) is achieved by utilizing wideband ground-backed frequency selective surfaces (FSSs) to overcome the high losses of organic substrates such as paper. A microstrip-fed monopole mounted on an artificial magnetic conductor is demonstrated to improve the gain by 5 dB over previous works and exhibit much wider impedance bandwidth while maintaining a thin antenna profile and a 20% electrical size reduction. The effect of AMC bandwidth on substrate losses and the gain reduction caused by finite AMC array effects are investigated in an effort to produce high-gain, miniaturized, low-cost wearable and structure mount antennas. © 2013 IEEE.

A comparison of methods for evaluating structure during ship collisions

International Nuclear Information System (INIS)

Ammerman, D.J.; Daidola, J.C.

1996-01-01

A comparison is provided of the results of various methods for evaluating structure during a ship-to-ship collision. The baseline vessel utilized in the analyses is a 67.4 meter in length displacement hull struck by an identical vessel traveling at speeds ranging from 10 to 30 knots. The structural response of the struck vessel and motion of both the struck and striking vessels are assessed by finite element analysis. These same results are then compared to predictions utilizing the open-quotes Tanker Structural Analysis for Minor Collisionsclose quotes (TSAMC) Method, the Minorsky Method, the Haywood Collision Process, and comparison to full-scale tests. Consideration is given to the nature of structural deformation, absorbed energy, penetration, rigid body motion, and virtual mass affecting the hydrodynamic response. Insights are provided with regard to the calibration of the finite element model which was achievable through utilizing the more empirical analyses and the extent to which the finite element analysis is able to simulate the entire collision event. 7 refs., 8 figs., 4 tabs

7 CFR 319.8-23 - Treatment.

Science.gov (United States)

2010-01-01

... 7 Agriculture 5 2010-01-01 2010-01-01 false Treatment. 319.8-23 Section 319.8-23 Agriculture....8-23 Treatment. (a)(1) Vacuum fumigation as required in this subpart shall consist of fumigation, in... the substitution of processing, utilization, or other form of treatment for vacuum fumigation when in...

Neutron-scattering study of the magnetic structure of DyFe₄Al₈ and HoFe₄Al₈

DEFF Research Database (Denmark)

Paixao, J.A.; Silva, M.R.; Sørensen, S.Aa.

2000-01-01

The magnetic structures of DyFe4Al8 and HoFe4Al8, which have been reported to be unusual spin-glass systems, were studied in detail by neutron diffraction, using both unpolarized and polarized beams. In fact these compounds have long-range magnetic order in both the Fe and rare-earth sublattices....

OD (order-disorder) character of the crystal structure of godlevskite Ni9S8

DEFF Research Database (Denmark)

Merlino, Stefano; Makovicky, Emil

2009-01-01

Godlevskite Ni9S8 has been found to be an OD (order-disorder) structure consisting of two kinds of OD layers in strict alternation; these layers display stacking disorder. They have layer symmetries P( )2m and P212(2), respectively (symmetry elements in parentheses are perpendicular to OD layers......). Two structures with maximum degree of order (MDO polytypes), with space-group symmetries A222 and I4122, respectively, exist, together with more complex polytypes or disordered sequences. The OD character is in keeping with the frequent twinning of godlevskite....

1.8 Å structure of murine GITR ligand dimer expressed in Drosophila melanogaster S2 cells

International Nuclear Information System (INIS)

Chattopadhyay, Kausik; Ramagopal, Udupi A.; Nathenson, Stanley G.; Almo, Steven C.

2009-01-01

1.8 Å X-ray crystal structure of mouse GITRL expressed in D. melanogaster S2 cells shows an identical ‘strand-exchanged’ dimeric assembly similar to that observed previously for the E. coli-expressed protein. Glucocorticoid-induced TNF receptor ligand (GITRL), a prominent member of the TNF superfamily, activates its receptor on both effector and regulatory T cells to generate critical costimulatory signals that have been implicated in a wide range of T-cell immune functions. The crystal structures of murine and human orthologs of GITRL recombinantly expressed in Escherichia coli have previously been determined. In contrast to all classical TNF structures, including the human GITRL structure, murine GITRL demonstrated a unique ‘strand-exchanged’ dimeric organization. Such a novel assembly behavior indicated a dramatic impact on receptor activation as well as on the signaling mechanism associated with the murine GITRL costimulatory system. In this present work, the 1.8 Å resolution crystal structure of murine GITRL expressed in Drosophila melanogaster S2 cells is reported. The eukaryotic protein-expression system allows transport of the recombinant protein into the extracellular culture medium, thus maximizing the possibility of obtaining correctly folded material devoid of any folding/assembly artifacts that are often suspected with E. coli-expressed proteins. The S2 cell-expressed murine GITRL adopts an identical ‘strand-exchanged’ dimeric structure to that observed for the E. coli-expressed protein, thus conclusively demonstrating the novel quaternary structure assembly behavior of murine GITRL

1.8 Å structure of murine GITR ligand dimer expressed in Drosophila melanogaster S2 cells

Energy Technology Data Exchange (ETDEWEB)

Chattopadhyay, Kausik [Department of Microbiology and Immunology, Albert Einstein College of Medicine, Bronx, New York 10461 (United States); Ramagopal, Udupi A. [Department of Biochemistry, Albert Einstein College of Medicine, Bronx, New York 10461 (United States); Nathenson, Stanley G., E-mail: nathenso@aecom.yu.edu [Department of Microbiology and Immunology, Albert Einstein College of Medicine, Bronx, New York 10461 (United States); Department of Cell Biology, Albert Einstein College of Medicine, Bronx, New York 10461 (United States); Almo, Steven C., E-mail: nathenso@aecom.yu.edu [Department of Biochemistry, Albert Einstein College of Medicine, Bronx, New York 10461 (United States); Department of Physiology and Biophysics, Albert Einstein College of Medicine, Bronx, New York 10461 (United States); Department of Microbiology and Immunology, Albert Einstein College of Medicine, Bronx, New York 10461 (United States)

2009-05-01

1.8 Å X-ray crystal structure of mouse GITRL expressed in D. melanogaster S2 cells shows an identical ‘strand-exchanged’ dimeric assembly similar to that observed previously for the E. coli-expressed protein. Glucocorticoid-induced TNF receptor ligand (GITRL), a prominent member of the TNF superfamily, activates its receptor on both effector and regulatory T cells to generate critical costimulatory signals that have been implicated in a wide range of T-cell immune functions. The crystal structures of murine and human orthologs of GITRL recombinantly expressed in Escherichia coli have previously been determined. In contrast to all classical TNF structures, including the human GITRL structure, murine GITRL demonstrated a unique ‘strand-exchanged’ dimeric organization. Such a novel assembly behavior indicated a dramatic impact on receptor activation as well as on the signaling mechanism associated with the murine GITRL costimulatory system. In this present work, the 1.8 Å resolution crystal structure of murine GITRL expressed in Drosophila melanogaster S2 cells is reported. The eukaryotic protein-expression system allows transport of the recombinant protein into the extracellular culture medium, thus maximizing the possibility of obtaining correctly folded material devoid of any folding/assembly artifacts that are often suspected with E. coli-expressed proteins. The S2 cell-expressed murine GITRL adopts an identical ‘strand-exchanged’ dimeric structure to that observed for the E. coli-expressed protein, thus conclusively demonstrating the novel quaternary structure assembly behavior of murine GITRL.

Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structure; NREL (National Renewable Energy Laboratory)

Energy Technology Data Exchange (ETDEWEB)

Ruth, M.; Pratt, A.; Lunacek, M.; Mittal, S.; Wu, H.; Jones, W.

2015-06-15

The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is not well understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load. used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load.

Structuring effects of [Ln6O(OH)8(NO3)6(H2O)12]2+ entities

International Nuclear Information System (INIS)

Guillou, O.; Daiguebonne, C.; Calvez, G.; Le Dret, F.; Car, P.-E.

2008-01-01

In order to obtain highly porous lanthanide-based coordination polymers we are currently investigating reactions between [Ln 6 O(OH) 8 (NO 3 ) 6 (H 2 O) 12 ] 2+ di-cationic hexanuclear entities and sodium salts of benzene-poly-carboxylic acids. Two new coordination polymers obtained during this study are reported here. In both cases, the hexanuclear entity has been destroyed during the reaction. However the resulting compounds are original thanks to a structuring effect of the poly-metallic complex. The first compound of chemical formula [Y 2 (C 8 H 4 O 4 ) 3 (DMF)(H 2 O)],2DMF crystallizes in the monoclinic system, space group P121/n (n o 14) with a = 16.0975(3) A, b = 14.4605(3) A, c = 17.7197(4) A, β = 92.8504(9) o and Z = 4. The second compound of chemical formula Y 2 (NO 3 ) 2 (C 10 H 2 O 8 )(DMF) 4 crystallizes in the triclinic system, space group P-1 (n o 2) with a = 7.5312(3) A, b = 9.0288(3) A, c = 13.1144(6) A, α = 92.6008(14) o , β = 94.9180(14) o , γ = 112.1824(16) o and Z = 2. Both crystal structures are 2D. Both crystal structures are described and the original structural features are highlighted and related to a potential structuring effect of the hexanuclear precursor

Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .

Science.gov (United States)

Dey, Sanghamitra; Lane, James M; Lee, Richard E; Rubin, Eric J; Sacchettini, James C

2010-08-10

Mycobacterium tuberculosis (Mtb) depends on biotin synthesis for survival during infection. In the absence of biotin, disruption of the biotin biosynthesis pathway results in cell death rather than growth arrest, an unusual phenotype for an Mtb auxotroph. Humans lack the enzymes for biotin production, making the proteins of this essential Mtb pathway promising drug targets. To this end, we have determined the crystal structures of the second and third enzymes of the Mtb biotin biosynthetic pathway, 7,8-diaminopelargonic acid synthase (DAPAS) and dethiobiotin synthetase (DTBS), at respective resolutions of 2.2 and 1.85 A. Superimposition of the DAPAS structures bound either to the SAM analogue sinefungin or to 7-keto-8-aminopelargonic acid (KAPA) allowed us to map the putative binding site for the substrates and to propose a mechanism by which the enzyme accommodates their disparate structures. Comparison of the DTBS structures bound to the substrate 7,8-diaminopelargonic acid (DAPA) or to ADP and the product dethiobiotin (DTB) permitted derivation of an enzyme mechanism. There are significant differences between the Mtb enzymes and those of other organisms; the Bacillus subtilis DAPAS, presented here at a high resolution of 2.2 A, has active site variations and the Escherichia coli and Helicobacter pylori DTBS have alterations in their overall folds. We have begun to exploit the unique characteristics of the Mtb structures to design specific inhibitors against the biotin biosynthesis pathway in Mtb.

Detection of environmental radioactive contamination levels using a liquid-scintillation counter

International Nuclear Information System (INIS)

Calisto, W.; Kun, A.; Campos, E.

1981-01-01

A high-efficiency LS-100 C liquid scintillation counter was used to detect low levels of environmental activity. Different concentrations of primary scintillator were tested and these established the most suitable values. Work was carried out at the same time to find conditions which would ensure a low background and high efficiency. To reduce the sample volume used, various types of chelating agents were utilized: 8-hydroxyquinoline (oxine), tannic acid, cupferron, dimethylglioxime and beta-naphthol. These were tested at pH levels of 1, 6 and 11. Measurements were performed by means of the Cerenkov effect using substances with differing refraction indices - 26% sodium chloride, water, glycerine, carbon bisulphide, nitrobenzene, benzyl alcohol and toluene. Finally, work was done on comparing spectra obtained by Cerenkov radiation and by 90 Sr and 90 Y beta radiation respectively. Clearly differentiated zones were obtained, thus making it possible to distinguish one isotope from another in an equilibrium solution. (author)

OD (order-disorder) character of the crystal structure of maucherite Ni8As11

DEFF Research Database (Denmark)

Makovicky, Emil; Merlino, Stefano

2009-01-01

Maucherite Ni11As8 has been found to be an OD (order-disorder) structure consisting of unit layers, which display stacking orientation disorder. Maucherite is composed of OD layers of one kind, with layer symmetry P( )m2 (the bracketed element is perpendicular to the layer), the simplest, uniform...

[Immunomodulators with an 8-azasteroid structure as inducers of liver cytochrome P-450].

Science.gov (United States)

Kuz'mitskiĭ, B B; Dad'kov, I G; Mashkovich, A E; Stoma, O V; Slepneva, L M

1990-01-01

Two structural analogues of D-homo-8-azasteroids, both an immunostimulant and an immunodepressant, are inductors of the liver cytochrome P-450 in animals. This capability was shown by means of both a decrease of the hexenal sleep duration in the pharmacological test and an increase of the quantity of cytochrome P-450 and the rate of N-demethylation of aminopyrine in the biochemical assays.

The most important structures utilizing primary and secondary hydroenergetic potential for electric energy production

International Nuclear Information System (INIS)

Zacharovsky, M.

1997-01-01

In this paper the construction, technological parameters and operation of Gabcikovo (primary hydro energy power) and Cierny Vah (secondary hydro energy power) are described. Construction of the hydroelectric power plant (HPP) Gabcikovo started in 1978 as a part of a system of hydro power projects Gabcikovo-Nagymaros. Basic technical data are: installed capacity 8 x 90 MW, production in an average aqueous year 2.650 GWh, number of hydroelectric generating sets (HGS) 8, turbine flow 8 x 413-636 m 3 /s, head 12.9-24 m.The Gabcikovo plant produced 9.163 GWh of electricity from the beginning of its operation till the end of 1966. The construction of the pumped storage plant (PSP) Cierny Vah started in 1976 and it was put into operation at the end of 1980. The main goal of the PSP Cierny Vah is to meet the control functions of an electrification system of the Slovak Republic, a substitute function in the cases of unexpected power outages and a planned electricity production from re-pumping. Technological parts are: six re-pumping vertical HGS in a three machine arrangement - a motor-generator, a turbine, a pump - are located in three double-blocks. Basic technical data: installed capacity 6 x 122.4 MW + 0.768 MW, yearly production 1,281 GWh, number of HGS 6, number of domestic hydroelectric generating sets 1, turbine flow 3 x 30 m / s, pump flow 6 x 22 m 3 /s, upper reservoir volume 3.7 mil. m 3 , max. head 434 m, peak time 5.71 hour, pumping time 7.78 hour, re-pumping cycle efficiency 74.36%. From putting the PSP into operation till the end of 1996, the HGS in operation 145,269 hours in total, including 53,332 hours in a turbine mode of operation, 70,293 hours in a pumping mode operation and 21,644 hours in a compensation mode operation. Whereas they supplied 5,346 GWh in the mains and the consumed 6,933 GWh of electricity for pumping. Hydroenergetic potential is a primary source of energy which is recyclable, i.e. unexhaustible and also ecologically the most tolerable

Utilizing knowledge base of amino acids structural neighborhoods to predict protein-protein interaction sites.

Science.gov (United States)

Jelínek, Jan; Škoda, Petr; Hoksza, David

2017-12-06

Protein-protein interactions (PPI) play a key role in an investigation of various biochemical processes, and their identification is thus of great importance. Although computational prediction of which amino acids take part in a PPI has been an active field of research for some time, the quality of in-silico methods is still far from perfect. We have developed a novel prediction method called INSPiRE which benefits from a knowledge base built from data available in Protein Data Bank. All proteins involved in PPIs were converted into labeled graphs with nodes corresponding to amino acids and edges to pairs of neighboring amino acids. A structural neighborhood of each node was then encoded into a bit string and stored in the knowledge base. When predicting PPIs, INSPiRE labels amino acids of unknown proteins as interface or non-interface based on how often their structural neighborhood appears as interface or non-interface in the knowledge base. We evaluated INSPiRE's behavior with respect to different types and sizes of the structural neighborhood. Furthermore, we examined the suitability of several different features for labeling the nodes. Our evaluations showed that INSPiRE clearly outperforms existing methods with respect to Matthews correlation coefficient. In this paper we introduce a new knowledge-based method for identification of protein-protein interaction sites called INSPiRE. Its knowledge base utilizes structural patterns of known interaction sites in the Protein Data Bank which are then used for PPI prediction. Extensive experiments on several well-established datasets show that INSPiRE significantly surpasses existing PPI approaches.

Crystal structures of the dioxane hemisolvates of N-(7-bromomethyl-1,8-naphthyridin-2-ylacetamide and bis[N-(7-dibromomethyl-1,8-naphthyridin-2-ylacetamide

Directory of Open Access Journals (Sweden)

Robert Rosin

2017-10-01

Full Text Available The syntheses and crystal structures of N-(7-bromomethyl-1,8-naphthyridin-2-ylacetamide dioxane hemisolvate, C11H10BrN3O·0.5C4H8O2, (I, and bis[N-(7-dibromomethyl-1,8-naphthyridin-2-ylacetamide] dioxane hemisolvate, 2C11H9Br2N3O·0.5C4H8O2, (II, are described. The molecules adopt a conformation with the N—H hydrogen pointing towards the lone electron pair of the adjacent naphthyridine N atom. The crystals of (I are stabilized by a three-dimensional supramolecular network comprising N—H...N, C—H...N and C—H...O hydrogen bonds, as well as C—Br...π halogen bonds. The crystals of compound (II are stabilized by a three-dimensional supramolecular network comprising N—H...N, C—H...N and C—H...O hydrogen bonds, as well as C—H...π contacts and C—Br...π halogen bonds. The structure of the substituent attached in the 7-position of the naphthyridine skeleton has a fundamental influence on the pattern of intermolecular noncovalent bonding. While the Br atom of (I participates in weak C—Br...Oguest and C—Br...π contacts, the Br atoms of compound (II are involved in host–host interactions via C—Br...O=C, C—Br...N and C—Br...π bonding.

Evolution from a natural flavones nucleus to obtain 2-(4-Propoxyphenyl)quinoline derivatives as potent inhibitors of the S. aureus NorA efflux pump.

Science.gov (United States)

Sabatini, Stefano; Gosetto, Francesca; Manfroni, Giuseppe; Tabarrini, Oriana; Kaatz, Glenn W; Patel, Diixa; Cecchetti, Violetta

2011-08-25

Overexpression of efflux pumps is an important mechanism by which bacteria evade the effects of substrate antimicrobial agents. Inhibition of such pumps is a promising strategy to circumvent this resistance mechanism. NorA is a Staphylococcus aureus efflux pump that confers reduced susceptibility to many structurally unrelated agents, including fluoroquinolones, resulting in a multidrug resistant phenotype. In this work, a series of 2-phenyl-4(1H)-quinolone and 2-phenyl-4-hydroxyquinoline derivatives, obtained by modifying the flavone nucleus of known efflux pump inhibitors (EPIs), were synthesized in an effort to identify more potent S. aureus NorA EPIs. The 2-phenyl-4-hydroxyquinoline derivatives 28f and 29f display potent EPI activity against SA-1199B, a strain that overexpresses norA, in an ethidium bromide efflux inhibition assay. The same compounds, in combination with ciprofloxacin, were able to completely restore its antibacterial activity against both S. aureus SA-K2378 and SA-1199B, norA-overexpressing strains. © 2011 American Chemical Society

IrSr2TbCu2O8, a high-pressure metamagnetic cuprate: Structure, microstructure and properties

International Nuclear Information System (INIS)

Dos Santos-Garcia, A.J.; Duijn, J. van; Saez-Puche, R.; Heymann, G.; Huppertz, H.; Alario-Franco, M.A.

2008-01-01

The synthesis, structure and microstructure of the IrSr 2 TbCu 2 O 8 cuprate showing metamagnetic properties are described. The sample was prepared at high temperatures and pressures up to 9.2 GPa. The structure is tetragonal, showing a 1212 type structure, that derives from the classical YBaCuO superconductor structure, replacing the tetracoordinated square planar copper [Cu-O 4 ] in the 'chains' by octahedral [Ir-O 6 ] groups that form a perovskite-like layer in the basal plane of the unit cell. A 'simple' cell, ∼a p xa p x3a p , where a p is the basic perovskite unit cell parameter (a p ∼3.8 A), is supported by X-ray powder diffraction (XRD) and a so-called 'diagonal' one, ∼√2a p x√2a p x3a p , by SAED; a microdomain texture of latter cell and a series of very interesting extended defects have been observed by HREM. Magnetic susceptibility measurements show a magnetic transition, T N ∼6 K, with negative Weiss temperature, that indicates antiferromagnetic interactions among the Tb moments. The magnetic structure has been determined by neutron diffraction. A detailed magnetic study has revealed a metamagnetic behavior, something not previously observed in this type of cuprates. Specific heat and resistivity measurements have also been performed to characterize the transition. - Graphical abstract: Reconstructed image from the SAED of the long c tetragonal axis (3a p ) of a IrSr 2 TbCu 2 O 8 crystal. A unit cell picture is included for comparison. Display Omitted

Fused Methoxynaphthyl Phenanthrimidazole Semiconductors as Functional Layer in High Efficient OLEDs.

Science.gov (United States)

Jayabharathi, Jayaraman; Ramanathan, Periyasamy; Karunakaran, Chockalingam; Thanikachalam, Venugopal

2016-01-01

Efficient hole transport materials based on novel fused methoxynaphthyl phenanthrimidazole core structure were synthesised and characterized. Their device performances in phosphorescent organic light emitting diodes were investigated. The high thermal stability in combination with the reversible oxidation process made promising candidates as hole-transporting materials for organic light-emitting devices. Highly efficient Alq3-based organic light emitting devices have been developed using phenanthrimidazoles as functional layers between NPB [4,4-bis(N-(1-naphthyl)-N-phenylamino)biphenyl] and Alq3 [tris(8-hydroxyquinoline)aluminium] layers. Using the device of ITO/NPB/4/Alq3/LiF/Al, a maximum luminous efficiency of 5.99 cd A(-1) was obtained with a maximum brightness of 40,623 cd m(-2) and a power efficiency of 5.25 lm W(-1).

C8-structured carbon quantum dots: Synthesis, blue and green double luminescence, and origins of surface defects

Science.gov (United States)

Xifang, Chen; Wenxia, Zhang; Qianjin, Wang; Jiyang, Fan

Carbon quantum dots (CQDs) have attracted great attention in the past few years due to their low cytotoxicity, exploited various synthesis methods, unexampled abundance of raw materials on earth, and robust near-infrared to near-UV luminescence. Carbon nanoparticles have applications in biological labeling, delivery of drugs and biological molecules into cells, and light emitting diodes and lasing. CQDs generally exist as nanodiamonds or graphite quantum dots according to previous research reports. In this study, we report the first synthesis of the third-allotrope CQDs through carbonization of sucrose and study their luminescence properties. These CQDs have a body-centered cubic structure and each lattice point is composed of eight atoms which form a sub-cube (so called C8 crystal structure). High-resolution transmission electron microscopy and X-ray diffraction confirm the C8 structure of the synthesized carbon nanocrystallites with an average size of 2 nm. The C8 CQDs exhibit double-band luminescence with two peaks centered at around 432 and 520 nm. The study based on the photoluminescence, UV-Vis absorption, Fourier-transform infrared, and X-ray photoelectron spectroscopies reveals that the green emission originates from the C=O related surface defect.

Investigation of 124Xe nuclear structure with the 8Pi spectrometer at TRIUMF-ISAC

Science.gov (United States)

Radich, Allison; Garrett, P.; Jigmeddorj, B.; Michetti-Wilson, J.; Diaz Varela, A.; Hadinia, B.; Bianco, L.; Wong, J.; Chagnon-Lessard, S.; Dunlop, R.; Finlay, P.; Laffoley, A.; Leach, K. G.; Rand, E.; Sumithrarachchi, C.; Svennson, C. E.; Wood, J. L.; Yates, S. W.; Andreoiu, C.; Starosta, K.; Cross, D.; Garnsworthy, A. B.; Hackman, G.; Ball, G.; Triambak, S.

2013-10-01

The 124Xe nucleus has been thought to obey O(6) symmetry but a recent Coulomb excitation study has found that while O(5) may be preserved, O(6) appears to be badly broken. To further characterize the structure of this nucleus, a beta-decay experiment was performed at the TRIUMF-ISAC facility. A beam of radioactive 124Cs at a rate of 9.8 × 107 ions/s was implanted at the center of the 8Pi spectrometer where it underwent β + /EC decay into stable 124Xe. High-statistics gamma-gamma coincidence measurements have been analyzed to add to the level scheme of 124Xe, which has been extended considerably. The high statistics data set has revealed a new decay branch from a 124Cs high-spin isomer as well as several very-weak transitions between low-spin states in 124Xe. Branching ratios and B(E2) transition strengths have been calculated for the updated level scheme. The results will be important in determining collective properties and nuclear structure of the 124Xe.

Nano-structuring of solid surface by extreme ultraviolet Ar8+ laser

Czech Academy of Sciences Publication Activity Database

Koláček, Karel; Štraus, Jaroslav; Schmidt, Jiří; Frolov, Oleksandr; Prukner, Václav; Shukurov, A.; Holý, V.; Sobota, Jaroslav; Fořt, Tomáš

2012-01-01

Roč. 30, č. 1 (2012), s. 57-63 ISSN 0263-0346. [International Conference on the Frontiers of Plasma Physics and Technology/5./. Singapore , 18.04.2011-22.04.2011] R&D Projects: GA MŠk LA08024; GA MŠk(CZ) LC528; GA AV ČR KAN300100702 Institutional research plan: CEZ:AV0Z20430508 Institutional support: RVO:68081731 ; RVO:61389021 Keywords : Ablation by EUV radiation * application of Ar8+ laser * nano-patterning by EUV radiation * , nano-structuring by EUV radiation Subject RIV: BL - Plasma and Gas Discharge Physics; BH - Optics, Masers, Lasers (UPT-D) Impact factor: 2.016, year: 2012

Structure refinement of flexible proteins using dipolar couplings: Application to the protein p8MTCP1

International Nuclear Information System (INIS)

Demene, Helene; Ducat, Thierry; Barthe, Philippe; Delsuc, Marc-Andre; Roumestand, Christian

2002-01-01

The present study deals with the relevance of using mobility-averaged dipolar couplings for the structure refinement of flexible proteins. The 68-residue protein p8 MTCP1 has been chosen as model for this study. Its solution state consists mainly of three α-helices. The two N-terminal helices are strapped in a well-determined α-hairpin, whereas, due to an intrinsic mobility, the position of the third helix is less well defined in the NMR structure. To further characterize the degrees of freedom of this helix, we have measured the dipolar coupling constants in the backbone of p8 MTCP1 in a bicellar medium. We show here that including D HN dip dipolar couplings in the structure calculation protocol improves the structure of the α-hairpin but not the positioning of the third helix. This is due to the motional averaging of the dipolar couplings measured in the last helix. Performing two calculations with different force constants for the dipolar restraints highlights the inconstancy of these mobility-averaged dipolar couplings. Alternatively, prior to any structure calculations, comparing the values of the dipolar couplings measured in helix III to values back-calculated from an ideal helix demonstrates that they are atypical for a helix. This can be partly attributed to mobility effects since the inclusion of the 15 N relaxation derived order parameter allows for a better fit

Biochemical and structural insights into xylan utilization by the thermophilic bacterium Caldanaerobius polysaccharolyticus.

Science.gov (United States)

Han, Yejun; Agarwal, Vinayak; Dodd, Dylan; Kim, Jason; Bae, Brian; Mackie, Roderick I; Nair, Satish K; Cann, Isaac K O

2012-10-12

Hemicellulose is the next most abundant plant cell wall component after cellulose. The abundance of hemicellulose such as xylan suggests that their hydrolysis and conversion to biofuels can improve the economics of bioenergy production. In an effort to understand xylan hydrolysis at high temperatures, we sequenced the genome of the thermophilic bacterium Caldanaerobius polysaccharolyticus. Analysis of the partial genome sequence revealed a gene cluster that contained both hydrolytic enzymes and also enzymes key to the pentose-phosphate pathway. The hydrolytic enzymes in the gene cluster were demonstrated to convert products from a large endoxylanase (Xyn10A) predicted to anchor to the surface of the bacterium. We further use structural and calorimetric studies to demonstrate that the end products of Xyn10A hydrolysis of xylan are recognized and bound by XBP1, a putative solute-binding protein, likely for transport into the cell. The XBP1 protein showed preference for xylo-oligosaccharides as follows: xylotriose > xylobiose > xylotetraose. To elucidate the structural basis for the oligosaccharide preference, we solved the co-crystal structure of XBP1 complexed with xylotriose to a 1.8-Å resolution. Analysis of the biochemical data in the context of the co-crystal structure reveals the molecular underpinnings of oligosaccharide length specificity.

Structural and Functional Characterization of a Short-Chain Flavodoxin Associated with a Noncanonical 1,2-Propanediol Utilization Bacterial Microcompartment

Energy Technology Data Exchange (ETDEWEB)

Plegaria, Jefferson S. [MSU-DOE; Sutter, Markus [MSU-DOE; Molecular; Ferlez, Bryan [MSU-DOE; Aussignargues, Clément [MSU-DOE; Niklas, Jens [Solar; Poluektov, Oleg G. [Solar; Fromwiller, Ciara [MSU-DOE; TerAvest, Michaela [Department; amp, Molecular Biology, Michigan State University, East; Utschig, Lisa M. [Solar; Tiede, David M. [Solar; Kerfeld, Cheryl A. [MSU-DOE; Molecular; Department; amp, Molecular Biology, Michigan State University, East; Berkeley Synthetic Biology Institute, Berkeley, California 94720, United States

2017-09-21

Bacterial microcompartments (BMCs) are proteinaceous organelles that encapsulate enzymes involved in CO2 fixation (carboxysomes). or carbon catabolism (metabolosomes). Metabolosomes share a common core of enzymes and a distinct signature enzyme for substrate degradation that defines the function of the BMC (e,g., propanediol or ethanolamine utilization BMCs, or glycyl-radical enzyme microcompartments). Loci encoding metabolosomes also typically contain genes for proteins that support organelle function, such as regulation, transport of substrate, and cofactor (e.g., vitamin B-12) synthesis and recycling. Flavoproteins are frequently among these ancillary gene products, suggesting that these redox active proteins play an undetermined function in many metabolosomes. Here, we report the first characterization of a BMC-associated flavodoxin (Fld1C), a small flavoprotein, derived from the noncanonical 1,2-propanediol utilization BMC locus (PDU1C) of Lactobacillus reuteri. The 2.0 angstrom X-ray structure of Fld1C displays the alpha/beta flavodoxin fold, which noncovalently binds a single flavin mononucleotide molecule. Fld1C is a short-chain flavodoxin with redox potentials of -240 +/- 3 mV oxidized/semiquinone and -344 +/- 1 mV semiquinone/hydroquinone versus the standard hydrogen electrode at pH 7.5. It can participate in an electron transfer reaction with a photoreductant to form a stable semiquinone species. Collectively, our structural and functional results suggest that PDU1C BMCs encapsulate Fld1C to store and transfer electrons for the reactivation and/or recycling of the B-12 cofactor utilized by the signature enzyme.

The Incremental Utility of Behavioral Rating Scales and a Structured Diagnostic Interview in the Assessment of Attention-Deficit/Hyperactivity Disorder

Science.gov (United States)

Vaughn, Aaron J.; Hoza, Betsy

2013-01-01

The current study examined the incremental utility of rating scales, a structured diagnostic interview, and multiple informants in a comprehensive assessment of attention-deficit/hyperactivity disorder (ADHD). The sample included 185 children with ADHD (M[subscript age] = 9.22, SD = 0.95) and 82 children without ADHD (M[subscript age] = 9.24, SD =…

Synthesis, band structure, and optical properties of Ba2ZnV2O8

International Nuclear Information System (INIS)

Chen, D.-G.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Zhang, Y.-C.; Gong, Y.-J.; Kan, Z.-G.

2004-01-01

A novel compound Ba 2 ZnV 2 O 8 has been synthesized in high temperature solution reaction and its crystal structure has been characterized by means of single crystal X-ray diffraction analysis. It crystallizes in monoclinic system and belongs to space group P2 1 /c with a=7.9050(16), b=16.149(3), c=6.1580(12)A, β=90.49(3). It builds up from 1-D branchy chains of [ZnV 2 O 8 4- ] ∞ , and the Ba 2+ cations are located in the space among these chains. The IR spectrum, ultraviolet-visible diffuse reflection integral spectrum and fluorescent spectra of this compound have been investigated. The calculated results of energy band structure by the density functional theory method show that the solid-state compound of Ba 2 ZnV 2 O 8 is an insulator with direct band gap of 3.48eV. The calculated total and partial density of states indicate that the top valence bands are contributions from the mixings of O-2p, V-3d, and Zn-3d states and low conduction bands mostly originate from unoccupied antibonding states between the V-3d and O-2p states. The V-O bonds are mostly covalence characters and Zn-O bonds are mostly ionic interactions, and the ionic interaction strength is stronger between the Ba-O than between the Zn-O. The refractive index of n x , n y , and n z is estimated to be 1.7453, 1.7469, and 1.7126, respectively, at wavelength of 1060nm for Ba 2 ZnV 2 O 8 crystal

Residents’ attitudes toward tourism development: A structural model via Akcakoca sample

OpenAIRE

Erol Duran; Emrah Özkul

2012-01-01

The objective of this study is to showcase a structural model that explores residents’ attitudes towards sustainable tourism development. Factors influencing residents’ attitudes were examined using a model consisting five latent constructs and six path hypotheses. Within this context, findings from 300 resident-respondents from Akcakoca, Turkey were analyzed. Utilizing LISREL 8,54 structural equation analysis package, a confirmatory factor analysis and path analysis were performed successi...

AE8/AP8 Implementations in AE9/AP9, IRBEM, and SPENVIS

Science.gov (United States)

2014-02-18

period applies to orbit generation only; AE8/AP8 utilizes geomagnetic field models from other epochs as specified in the table below.) SHIELDOSE2 model...finite and semi- infinite slab data tables for Bremsstrahlung have been reversed [Heynderickx, private communication, May 2013]. This correction is...Cain, J. C., S. J. Hendricks, R. A. Langel, and W. V. Hudson (1967), A proposed model for the international geomagnetic reference field, 1965, J

Double-Shell Tank (DST) Utilities Specification

International Nuclear Information System (INIS)

SUSIENE, W.T.

2000-01-01

This specification establishes the performance requirements and provides the references to the requisite codes and standards to he applied during the design of the Double-Shell Tank (DST) Utilities Subsystems that support the first phase of waste feed delivery (WFD). The DST Utilities Subsystems provide electrical power, raw/potable water, and service/instrument air to the equipment and structures used to transfer low-activity waste (LAW) and high-level waste (HLW) to designated DST staging tanks. The DST Utilities Subsystems also support the equipment and structures used to deliver blended LAW and HLW feed from these staging tanks to the River Protection Project (RPP) Privatization Contractor facility where the waste will be immobilized. This specification is intended to be the basis for new projects/installations. This specification is not intended to retroactively affect previously established project design criteria without specific direction by the program

Lightweight Structures Utilizing CNFs, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — AxNano proposes a novel method for producing robust, high-volume, cost-effective carbon fibers in support of next-generation materials for structural composite space...

Hualapai Tribal Utility Development Project

Energy Technology Data Exchange (ETDEWEB)

Hualapai Tribal Nation

2008-05-25

The first phase of the Hualapai Tribal Utility Development Project (Project) studied the feasibility of establishing a tribally operated utility to provide electric service to tribal customers at Grand Canyon West (see objective 1 below). The project was successful in completing the analysis of the energy production from the solar power systems at Grand Canyon West and developing a financial model, based on rates to be charged to Grand Canyon West customers connected to the solar systems, that would provide sufficient revenue for a Tribal Utility Authority to operate and maintain those systems. The objective to establish a central power grid over which the TUA would have authority and responsibility had to be modified because the construction schedule of GCW facilities, specifically the new air terminal, did not match up with the construction schedule for the solar power system. Therefore, two distributed systems were constructed instead of one central system with a high voltage distribution network. The Hualapai Tribal Council has not taken the action necessary to establish the Tribal Utility Authority that could be responsible for the electric service at GCW. The creation of a Tribal Utility Authority (TUA) was the subject of the second objective of the project. The second phase of the project examined the feasibility and strategy for establishing a tribal utility to serve the remainder of the Hualapai Reservation and the feasibility of including wind energy from a tribal wind generator in the energy resource portfolio of the tribal utility (see objective 2 below). It is currently unknown when the Tribal Council will consider the implementation of the results of the study. Objective 1 - Develop the basic organizational structure and operational strategy for a tribally controlled utility to operate at the Tribe’s tourism enterprise district, Grand Canyon West. Coordinate the development of the Tribal Utility structure with the development of the Grand Canyon

Energy and water quality management systems for water utility's operations: a review.

Science.gov (United States)

Cherchi, Carla; Badruzzaman, Mohammad; Oppenheimer, Joan; Bros, Christopher M; Jacangelo, Joseph G

2015-04-15

Holistic management of water and energy resources is critical for water utilities facing increasing energy prices, water supply shortage and stringent regulatory requirements. In the early 1990s, the concept of an integrated Energy and Water Quality Management System (EWQMS) was developed as an operational optimization framework for solving water quality, water supply and energy management problems simultaneously. Approximately twenty water utilities have implemented an EWQMS by interfacing commercial or in-house software optimization programs with existing control systems. For utilities with an installed EWQMS, operating cost savings of 8-15% have been reported due to higher use of cheaper tariff periods and better operating efficiencies, resulting in the reduction in energy consumption of ∼6-9%. This review provides the current state-of-knowledge on EWQMS typical structural features and operational strategies and benefits and drawbacks are analyzed. The review also highlights the challenges encountered during installation and implementation of EWQMS and identifies the knowledge gaps that should motivate new research efforts. Copyright © 2015 Elsevier Ltd. All rights reserved.

Structural evolution on medium-range-order during the fragile-strong transition in Ge_1_5Te_8_5

International Nuclear Information System (INIS)

Wei, Shuai; Stolpe, Moritz; Gross, Oliver; Hembree, William; Hechler, Simon; Bednarcik, Jozef; Busch, Ralf; Lucas, Pierre

2017-01-01

Using synchrotron X-ray scattering, we investigate liquid Ge_1_5Te_8_5 spanning a wide temperature range from near T_g to the melt, and demonstrate that the density anomaly and fragile-strong transition are not only related to short-range-order (SRO) structural change (e.g. Peierls-like distortion), but also accompanied by a remarkable development of medium-range-order (MRO). The latter manifests as an emerging pre-peak in total structure factor S(Q) and atomic pair correlations on the length scale of ∼8 Å in the real space G(r) function. The results highlight the role of medium-range structural ordering in the evolution of the configurational entropy which, according to the Adam-Gibbs theory, can be linked to the fragile-strong transition (FS-transition). Based on the relation between structure and liquid dynamics, the FS-transitions at high pressures are examined in terms of experimental data and the Ehrenfest relation. This work identifies the length scale for the atomic correlations in MRO structural evolutions and presents a structural approach to exploring liquid dynamics, which may be useful for investigating relevant phase-change alloys.

Effect of zirconium on the structure and phase composition of steel 03Kh8SYu

International Nuclear Information System (INIS)

Tarzhumanova, V.A.; Ryabchenkov, A.V.; Shatunova, A.V.; Yoganova, S.A.

1986-01-01

Previously, the authors determined the optimum zirconium content providing retention of a fine-grained structure for steel 03Kh8SYu during high-temperature heating. It was suggested that this was caused by separation in the steel of intermetallic phase Fe 3 Zr. This paper presents results of further studies in this direction. X-ray analysis results for the anodic residues of the steels are presented. It can be seen that in steel without zirconium, carbides of the type M 23 C 6 and M 7 C 3 and aluminum nitride are present. On adding 0.05% Zr, zirconium nitride forms in addition to the existing aluminum nitride and carbides of the type M 7 C 3 . The authors also investigated the effect of zirconium on the tendency of the steel toward grain growth at higher temperature; they studied the structure of steel 03Kh8SYu with 0.61% Zr after soaking specimens for 100 h at 950-1100 C. Results are presented

First-principle study of structural, electronic and magnetic properties of (FeC)n (n = 1-8) and (FeC)8TM (TM = V, Cr, Mn and Co) clusters.

Science.gov (United States)

Li, Cheng-Gang; Zhang, Jie; Zhang, Wu-Qin; Tang, Ya-Nan; Ren, Bao-Zeng; Hu, Yan-Fei

2017-12-13

The structural, electronic and magnetic properties of the (FeC) n (n = 1-8) clusters are studied using the unbiased CALYPSO structure search method and density functional theory. A combination of the PBE functional and 6-311 + G* basis set is used for determining global minima on potential energy surfaces of (FeC) n clusters. Relatively stabilities are analyzed via computing their binding energies, second order difference and HOMO-LUMO gaps. In addition, the origin of magnetic properties, spin density and density of states are discussed in detail, respectively. At last, based on the same computational method, the structures, magnetic properties and density of states are systemically investigated for the 3d (V, Cr, Mn and Co) atom doped (FeC) 8 cluster.

Oligonucleotide assisted light-emitting Alq3 microrods: energy transfer effect with fluorescent dyes.

Science.gov (United States)

Cui, Chunzhi; Park, Dong Hyuk; Kim, Jeongyong; Joo, Jinsoo; Ahn, Dong June

2013-06-14

Oligonucleotide assisted tri(8-hydroxyquinoline) aluminium (Alq3) microrods were prepared for the first time. When hybridized with oligonucleotide labeled by Cy3 fluorescent dye, a significant photoluminescence variation of the Alq3 microrods was observed due to Förster resonance energy transfer, unlike when Cy5-oligonucleotide was used. Versatile nucleotide manipulation would open up wider applications of Alq3-based materials, based on this fundamental observation.

Biotronics

Science.gov (United States)

2012-11-01

including butanol, methanol, ethanol and isopropanol, as well as an alcohol- chloroform blend. To spin-coat a thin film for photonics applications...CTMA and then dissolved in butanol. PCBM was dissolved in chloroform prior to mixing it with DNA-CTMA in butanol. These solutions were spin coated...tris-(8-hydroxyquinoline) aluminum HTL Hole Transport Layer LUMO Lowest Unoccupied Molecular Orbital NPB N- propyl Bromide HBL Hole Blocking Layer

8 Meter Advanced Technology Large-Aperture Space Telescope (ATLAST-8m)

Science.gov (United States)

Stahl, H. Philip

2010-01-01

ATLAST-8m (Advanced Technology Large Aperture Space Telescope) is a proposed 8-meter monolithic UV/optical/NIR space observatory (wavelength range 110 to 2500 nm) to be placed in orbit at Sun-Earth L2 by NASA's planned Ares V heavy lift vehicle. Given its very high angular resolution (15 mas @ 500 nm), sensitivity and performance stability, ATLAST-8m is capable of achieving breakthroughs in a broad range of astrophysics including: Is there life elsewhere in the Galaxy? An 8-meter UVOIR observatory has the performance required to detect habitability (H2O, atmospheric column density) and biosignatures (O2, O3, CH4) in terrestrial exoplanet atmospheres, to reveal the underlying physics that drives star formation, and to trace the complex interactions between dark matter, galaxies, and intergalactic medium. The ATLAST Astrophysics Strategic Mission Concept Study developed a detailed point design for an 8-m monolithic observatory including optical design; structural design/analysis including primary mirror support structure, sun shade and secondary mirror support structure; thermal analysis; spacecraft including structure, propulsion, GN&C, avionics, power systems and reaction wheels; mass and power budgets; and system cost. The results of which were submitted by invitation to NRC's 2010 Astronomy & Astrophysics Decadal Survey.

Electronic Structures of Reduced and Superreduced Ir2(1,8-diisocyanomenthane)4 n+ Complexes

Czech Academy of Sciences Publication Activity Database

Záliš, Stanislav; Hunter, B. M.; Gray, H. B.; Vlček, Antonín

2017-01-01

Roč. 56, č. 5 (2017), s. 2874-2883 ISSN 0020-1669 R&D Projects: GA MŠk LD14129 Grant - others:COST(XE) CM1405; COST(XE) CM1202 Institutional support: RVO:61388955 Keywords : electronic structure * electrochemistry * Ir2(1,8-diisocyanomenthane)4 n+ Complexes Subject RIV: CG - Electrochemistry OBOR OECD: Physical chemistry Impact factor: 4.857, year: 2016

Electronic structures and photophysics of d8-d8 complexes

Czech Academy of Sciences Publication Activity Database

Gray, H. B.; Záliš, Stanislav; Vlček, Antonín

2017-01-01

Roč. 345, AUG 2017 (2017), s. 297-317 ISSN 0010-8545 R&D Projects: GA MŠk LH13015 Grant - others:COST(XE) CM1405 Institutional support: RVO:61388955 Keywords : excitation * electronic structures * photophysics Subject RIV: CG - Electrochemistry OBOR OECD: Physical chemistry Impact factor: 13.324, year: 2016

Blade-type X-ray beam position monitors for SPring-8 undulator beamlines

CERN Document Server

Aoyagi, H; Kitamura, H

2001-01-01

The X-ray beam position monitors had been designed and installed for SPring-8 insertion device beamlines. These monitors are being utilized for photon beam diagnostics. The beam from the standard undulator in SPring-8 has the total power of 11 kW and the power density of 470 kW/mrad sup 2 , typically. Each monitor has four CVD diamond blades coated with metal for detector heads. We have already introduced three styles of monitors to match various insertion devices in SPring-8. A standard style, or a fixed-blade style, is used mainly for a standard in-vacuum undulator beamlines. A horizontal-blade-drive style and a four-blade-drive style are used for beamlines of a wiggler and a twin helical undulator that have wide power distributions, and for figure-8 undulators that have asymmetric power distributions, respectively. This report describes the design and the structure of these monitors and the beam-tests for the photon beam diagnostics in detail.

Electric energy utilization and conservation

International Nuclear Information System (INIS)

Tripathy, S.C.

1991-01-01

Various aspects of electric energy utilization and conservation are discussed. First chapter reviews thermodynamic aspects of energy conservation. Subsequent chapters describe possibilities and methods of energy conservation in thermal power plants, airconditioning and ventilation systems, electric lighting systems, electric heating systems in industries, and railway electrification. Chapter 8 describes various modes of energy storage and compares their economies. The next chapter discusses various facets of energy economics and the last chapter discusses the practical aspects of energy conservation in different industries and power utilities. (M.G.B.). 100 refs

Structural, magnetic and transport studies of Mn0.8Cr0.2CoGe alloy

Science.gov (United States)

Das, S. C.; Dutta, P.; Pramanick, S.; Chatterjee, S.

2018-04-01

Different physical and functional properties of Mn0.8Cr0.2CoGe alloy has been investigated through structural, magnetic and electrical transport measurements. Substitution of Cr for Mn results significant decrease in both structural and magnetic transition temperature and brings them well below the room temperature. A reasonable amount of conventional magnetocaloric effect (ΔS˜ - 2.22 J/kg-K for magnetic field (H) changing from 0 to 50 kOe) with large relative cooling power (251.7 J/kg for H changing from 0 to 50 kOe) has also been observed around the region of transition. On thermal cycling through the structural transition, noticeable training effect is found to be associated with the resistivity of the alloy.

A structured review of health utility measures and elicitation in advanced/metastatic breast cancer

Directory of Open Access Journals (Sweden)

Hao Y

2016-06-01

Full Text Available Yanni Hao,1 Verena Wolfram,2 Jennifer Cook2 1Novartis Pharmaceuticals, East Hanover, NJ, USA; 2Adelphi Values, Bollington, UK Background: Health utilities are increasingly incorporated in health economic evaluations. Different elicitation methods, direct and indirect, have been established in the past. This study examined the evidence on health utility elicitation previously reported in advanced/metastatic breast cancer and aimed to link these results to requirements of reimbursement bodies. Methods: Searches were conducted using a detailed search strategy across several electronic databases (MEDLINE, EMBASE, Cochrane Library, and EconLit databases, online sources (Cost-effectiveness Analysis Registry and the Health Economics Research Center, and web sites of health technology assessment (HTA bodies. Publications were selected based on the search strategy and the overall study objectives. Results: A total of 768 publications were identified in the searches, and 26 publications, comprising 18 journal articles and eight submissions to HTA bodies, were included in the evidence review. Most journal articles derived utilities from the European Quality of Life Five-Dimensions questionnaire (EQ-5D. Other utility measures, such as the direct methods standard gamble (SG, time trade-off (TTO, and visual analog scale (VAS, were less frequently used. Several studies described mapping algorithms to generate utilities from disease-specific health-related quality of life (HRQOL instruments such as European Organization for Research and Treatment of Cancer Quality of Life Questionnaire – Core 30 (EORTC QLQ-C30, European Organization for Research and Treatment of Cancer Quality of Life Questionnaire – Breast Cancer 23 (EORTC QLQ-BR23, Functional Assessment of Cancer Therapy – General questionnaire (FACT-G, and Utility-Based Questionnaire-Cancer (UBQ-C; most used EQ-5D as the reference. Sociodemographic factors that affect health utilities, such as age, sex

Analysis of Thermal Structure of Arctic Lakes at Local and Regional Scales Using in Situ and Multidate Landsat-8 Data

Science.gov (United States)

Huang, Yan; Liu, Hongxing; Hinkel, Kenneth; Yu, Bailang; Beck, Richard; Wu, Jianping

2017-11-01

The Arctic coastal plain is covered with numerous thermokarst lakes. These lakes are closely linked to climate and environmental change through their heat and water budgets. We examined the intralake thermal structure at the local scale and investigated the water temperature pattern of lakes at the regional scale by utilizing extensive in situ measurements and multidate Landsat-8 remote sensing data. Our analysis indicates that the lake skin temperatures derived from satellite thermal sensors during most of the ice-free summer period effectively represent the lake bulk temperature because the lakes are typically well-mixed and without significant vertical stratification. With the relatively high-resolution Landsat-8 thermal data, we were able to quantitatively examine intralake lateral temperature differences and gradients in relation to geographical location, topography, meteorological factors, and lake morphometry for the first time. Our results suggest that wind speed and direction not only control the vertical stratification but also influences lateral differences and gradients of lake surface temperature. Wind can considerably reduce the intralake temperature gradient. Interestingly, we found that geographical location (latitude, longitude, distance to the ocean) and lake morphometry (surface size, depth, volume) not only control lake temperature regionally but also affect the lateral temperature gradient and homogeneity level within each individual lake. For the Arctic coastal plain, at regional scales, inland and southern lakes tend to have larger horizontal temperature differences and gradients compared to coastal and northern lakes. At local scales, large and shallow lakes tend to have large lateral temperature differences relative to small and deep lakes.

Economic scale of utilization of radiation in Japan

International Nuclear Information System (INIS)

Yanagisawa, Kazuaki; Kume, Tamikazu; Makuuchi, Keizo

2001-01-01

Economic scale, not benefits, of utilization of radiation in Japan in 1997 was estimated without use of any calculation code. The objects were industrial usage, agricultural application and medical utilization. In the third item, the scale was the expense of medical use in patients of radiation generating apparatuses, of which production was regarded as belonging to the first item. The scale was found to be around 8,569,900,000,000 (8,569.9b) yen, of which 85% was in industry, 1% in agriculture and 14% in medicine, and to be about 1.7% GDP (General Domestic Products). In industry, its 75% was in manufacturing the semi-conductor. Medical use (91% of whole medicine) involved roentgenography (47%), CT (37%), nuclear medicine (12%) and radiotherapy (5%). The scale of radioisotope utilization was 65.4b yen in industry, 0.16b yen in agriculture and 1.1b yen in medicine of which 53% was due to 60 Co. If adding the scale of atomic energy utilization (7,274.2b yen) to above, 15,844.1b yen (3.2% GDP) was the total scale of atomic power utilization. (K.H.)

Synthesis and antiplasmodial evaluation of novel (4-aminobutyloxy)quinolines.

Science.gov (United States)

Vandekerckhove, Stéphanie; Müller, Christian; Vogt, Dieter; Lategan, Carmen; Smith, Peter J; Chibale, Kelly; De Kimpe, Norbert; D'hooghe, Matthias

2013-01-01

A variety of 5-, 6- and 8-(4-aminobutyloxy)quinolines as novel oxygen analogues of known 4- and 8-(4-aminobutylamino)quinoline antimalarial drugs was generated from hydroxyquinolines through a three-step approach with a rhodium-catalyzed hydroformylation as the key step. Antiplasmodial assays of these new quinolines revealed micromolar potency for all representatives against a chloroquine-sensitive strain of Plasmodium falciparum, and three compounds showed submicromolar activity against a chloroquine-resistant strain of P. falciparum with IC(50)-values ranging between 150 and 680 nM. Copyright © 2012 Elsevier Ltd. All rights reserved.

Xenobiotics enhance laccase activity in alkali-tolerant γ-proteobacterium JB.

Science.gov (United States)

Singh, Gursharan; Batish, Mona; Sharma, Prince; Capalash, Neena

2009-01-01

Various genotoxic textile dyes, xenobiotics, substrates (10 µM) and agrochemicals (100 µg/ml) were tested for enhancement of alkalophilic laccase activity in γ-proteobacterium JB. Neutral Red, Indigo Carmine, Naphthol Base Bordears and Sulphast Ruby dyes increased the activity by 3.7, 2.7, 2.6 and 2.3 fold respectively. Xenobiotics/substrates like p-toluidine, 8-hydroxyquinoline and anthracine increased it by 3.4, 2.8 and 2.3 fold respectively. Atrazine and trycyclozole pesticides enhanced the activity by 1.95 and 1.5 fold respectively.

Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism

International Nuclear Information System (INIS)

Yeh, Joanne I.; Chinte, Unmesh; Du, Shoucheng

2008-01-01

Sn-glycerol-3-phosphate dehydrogenase (GlpD) is an essential membrane enzyme, functioning at the central junction of respiration, glycolysis, and phospholipid biosynthesis. Its critical role is indicated by the multitiered regulatory mechanisms that stringently controls its expression and function. Once expressed, GlpD activity is regulated through lipid-enzyme interactions in Escherichia coli. Here, we report seven previously undescribed structures of the fully active E. coli GlpD, up to 1.75 (angstrom) resolution. In addition to elucidating the structure of the native enzyme, we have determined the structures of GlpD complexed with substrate analogues phosphoenolpyruvate, glyceric acid 2-phosphate, glyceraldehyde-3-phosphate, and product, dihydroxyacetone phosphate. These structural results reveal conformational states of the enzyme, delineating the residues involved in substrate binding and catalysis at the glycerol-3-phosphate site. Two probable mechanisms for catalyzing the dehydrogenation of glycerol-3-phosphate are envisioned, based on the conformational states of the complexes. To further correlate catalytic dehydrogenation to respiration, we have additionally determined the structures of GlpD bound with ubiquinone analogues menadione and 2-n-heptyl-4-hydroxyquinoline N-oxide, identifying a hydrophobic plateau that is likely the ubiquinone-binding site. These structures illuminate probable mechanisms of catalysis and suggest how GlpD shuttles electrons into the respiratory pathway. Glycerol metabolism has been implicated in insulin signaling and perturbations in glycerol uptake and catabolism are linked to obesity in humans. Homologs of GlpD are found in practically all organisms, from prokaryotes to humans, with >45% consensus protein sequences, signifying that these structural results on the prokaryotic enzyme may be readily applied to the eukaryotic GlpD enzymes.

The structural changes in the brazilian electric sector and the utilities strategic management; A restruturacao do setor eletrico brasileiro e o gerenciamento estrategico das empresas

Energy Technology Data Exchange (ETDEWEB)

Lotero, Roberto C.; Santana, Edvaldo Alves de [Santa Catarina Univ., Florianopolis, SC (Brazil). Programa de Pos-graduacao em Engenharia de Producao e Sistemas

1998-12-31

The objective of this paper is to show structural and market changes in brazilian electric sector and their implications on new business environment. Factors that will affect power utilities are pointed out and how they should be thoughtful in new model. Is pointed out the strategic change as a mean for utility optimization in efficiency and comparative advantage search. (author) 11 refs.; e-mail: rcl at eps.ufsc.br

Controlled manipulation of the Co-Alq3 interface by rational design of Alq3 derivatives.

Science.gov (United States)

Großmann, Nicolas; Magri, Andrea; Laux, Martin; Stadtmüller, Benjamin; Thielen, Philip; Schäfer, Bernhard; Fuhr, Olaf; Ruben, Mario; Cinchetti, Mirko; Aeschlimann, Martin

2016-11-15

Recently, research has revealed that molecules can be used to steer the local spin properties of ferromagnetic surfaces. One possibility to manipulate ferromagnetic-metal-molecule interfaces in a controlled way is to synthesize specific, non-magnetic molecules to obtain a desired interaction with the ferromagnetic substrate. Here, we have synthesized derivatives of the well-known semiconductor Alq 3 (with q = 8-hydroxyquinolinate), in which the 8-hydroxyquinolinate ligands are partially or completely replaced by similar ligands bearing O- or N-donor sets. The goal of this study was to investigate how the presence of (i) different donor atom sets and (ii) aromaticity in different conjugated π-systems influences the spin properties of the metal-molecule interface formed with a Co(100) surface. The spin-dependent metal-molecule-interface properties have been measured by spin-resolved photoemission spectroscopy, backed up by DFT calculations. Overall, our results show that, in the case of the Co-molecule interface, chemical synthesis of organic ligands leads to specific electronic properties of the interface, such as exciton formation or highly spin-polarized interface states. We find that these properties are even additive, i.e. they can be engineered into one single molecular system that incorporates all the relevant ligands.

Three-dimensional structure of β-cell-specific zinc transporter, ZnT-8, predicted from the type 2 diabetes-associated gene variant SLC30A8 R325W

Directory of Open Access Journals (Sweden)

Weijers Rob NM

2010-06-01

Full Text Available Abstract Background We examined the effects of the R325W mutation on the three-dimensional (3D structure of the β-cell-specific Zn2+ (zinc transporter ZnT-8. Methods A model of the C-terminal domain of the human ZnT-8 protein was generated by homology modeling based on the known crystal structure of the Escherichia coli (E. coli zinc transporter YiiP at 3.8 Å resolution. Results The homodimer ZnT-8 protein structure exists as a Y-shaped architecture with Arg325 located at the ultimate bottom of this motif at approximately 13.5 Å from the transmembrane domain juncture. The C-terminal domain sequences of the human ZnT-8 protein and the E. coli zinc transporter YiiP share 12.3% identical and 39.5% homologous residues resulting in an overall homology of 51.8%. Validation statistics of the homology model showed a reasonable quality of the model. The C-terminal domain exhibited an αββαβ fold with Arg325 as the penultimate N-terminal residue of the α2-helix. The side chains of both Arg325 and Trp325 point away from the interface with the other monomer, whereas the ε-NH3+ group of Arg325 is predicted to form an ionic interaction with the β-COO- group of Asp326 as well as Asp295. An amino acid alignment of the β2-α2 C-terminal loop domain revealed a variety of neutral amino acids at position 325 of different ZnT-8 proteins. Conclusions Our validated homology models predict that both Arg325 and Trp325, amino acids with a helix-forming behavior, and penultimate N-terminal residues in the α2-helix of the C-terminal domain, are shielded by the planar surface of the three cytoplasmic β-strands and hence unable to affect the sensing capacity of the C-terminal domain. Moreover, the amino acid residue at position 325 is too far removed from the docking and transporter parts of ZnT-8 to affect their local protein conformations. These data indicate that the inherited R325W abnormality in SLC30A8 may be tolerated and results in adequate zinc transfer

Synthesis and Antimicrobial Activity of Novel Substituted Ethyl 2-(Quinolin-4-yl-propanoates

Directory of Open Access Journals (Sweden)

Yong Zhou

2013-03-01

Full Text Available Substituted 4-hydroxyquinolines were synthesized from anilines and diethyl 2-(ethoxymethylenemalonate by the Gould-Jacobs reaction via cyclization of the intermediate anilinomethylenemalonate followed by hydrolysis and decarboxylation. The 4-hydroxyquinolines reacted with phosphorous oxychloride to form 4-chloroquinolines, which reacted on heating with diethyl sodiomethylmalonate in DMF to yield moderate yields of substituted ethyl 2-(quinolin-4-ylpropanoates, many of which showed potent antimicrobial activity against Helicobacter pylori.

Extended x-ray absorption fine structure study of arsenic in HgCdTe: p-type doping linked to nonsubstitutional As incorporation in an unknown AsHg8 structure

International Nuclear Information System (INIS)

Biquard, X.; Alliot, I.; Ballet, P.

2009-01-01

An extended x-ray absorption fine structure (EXAFS) investigation has been carried out on arsenic-doped Hg 70 Cd 30 Te samples. The incorporation of atomic arsenic has been achieved using a nonconventional radio-frequency plasma source in a molecular beam epitaxy reactor. Two samples from the same epitaxial wafer have been studied. One underwent a 400 deg. C activation annealing under Hg pressure, leading to n to p-type conversion. In the commonly admitted scenario, this conversion is associated with the annealing-induced migration of As from a Hg site to a Te site. This study shows that this is not the case. Before annealing, As is found to be involved in noncrystalline structures: 50% inside an As 2 Te 3 chalcogenide glass and 50% inside a new AsHg 8 compact structure. After annealing, the As 2 Te 3 chalcogenide glass disappears, 31% of As occupies Hg sites and 69% incorporates inside this new AsHg 8 compact structure that occupies Te sites. The EXAFS results are in excellent agreement with 77 K Hall-effect measurements. The new AsHg 8 structure is found to have an acceptor behavior. Overall, this study provides an entirely new vision of extrinsic p-type doping of HgCdTe as well as the first experimental evidence of As site transfer induced by annealing.

Structural and optical properties of Tb and Na-Tb co-doped Ca3V2O8 phosphors prepared by sol-gel process

Science.gov (United States)

Parab, Shambhu S.; Salker, A. V.

2018-01-01

A malic acid assisted sol-gel route was successfully employed to prepare two distinct series of green emitting Ca3V2O8 phosphors. In the first series, Tb was solely doped whereas in the second series Na and Tb were doped simultaneously in the Ca3V2O8 crystal lattice. X-ray diffraction studies proved the utility of adopted preparative method by confirming the monophasic formation of all compounds from both the series. Spectral analysis like Raman spectroscopy, UV-DRS were undertaken to analyse the local structure, crystallinity and absorptive characteristics. XPS validated the presence of desired oxidation states of all the elements present. Finally, photoluminescence studies were done to elucidate the scope of prepared compounds as green emitting phosphors and also to understand the effect of both doping schemes on the luminescence. Intense green emission was observed in both the cases. Tb concentration of 0.08 was found to be optimum in case of Tb singly doped compounds whereas Tb = 0.12 showed highest intensity among the Na-Tb co-doped samples. Moreover, a red shift in the excitation wavelength was observed after Na doping signifying a change in the local electronic environment which in turn has affected the luminescence pattern. Local crystallinity and vacancy concentrations were found to have a major say on the emission intensities.

Origine et developpement des industries de la langue (Origin and Development of Language Utilities). Publication K-8.

Science.gov (United States)

L'Homme, Marie-Claude

The evolution of "language utilities," a concept confined largely to the francophone world and relating to the uses of language in computer science and the use of computer science for languages, is chronicled. The language utilities are of three types: (1) tools for language development, primarily dictionary databases and related tools;…

A cross-cultural investigation into the dimensional structure and stability of the Barriers to Research and Utilization Scale (BARRIERS Scale).

Science.gov (United States)

Williams, Brett; Brown, Ted; Costello, Shane

2015-10-24

It is important that scales exhibit strong measurement properties including those related to the investigation of issues that impact evidence-based practice. The validity of the Barriers to Research Utilization Scale (BARRIERS Scale) has recently been questioned in a systematic review. This study investigated the dimensional structure and stability of the 28 item BARRIERS Scale when completed by three groups of participants from three different cross-cultural environments. Data from the BARRIERS Scale completed by 696 occupational therapists from Australia (n = 137), Taiwan (n = 413), and the United Kingdom (n = 144) were analysed using principal components analysis, followed by Procrustes Transformation. Poorly fitting items were identified by low communalities, cross-loading, and theoretically inconsistent primary loadings, and were systematically removed until good fit was achieved. The cross-cultural stability of the component structure of the BARRIERS Scale was examined. A four component, 19 item version of the BARRIERS Scale emerged that demonstrated an improved dimensional fit and stability across the three participant groups. The resulting four components were consistent with the BARRIERS Scale as originally conceptualised. Findings from the study suggest that the four component, 19 item version of the BARRIERS Scale is a robust and valid measure for identifying barriers to research utilization for occupational therapists in paediatric health care settings across Australia, United Kingdom, and Taiwan. The four component 19 item version of the BARRIERS Scale exhibited good dimensional structure, internal consistency, and stability.

Radiopharmaceutical chelates and method of external imaging

International Nuclear Information System (INIS)

1976-01-01

The preparation of the following chemicals is described: chelates of technetium-99m, cobalt-57, gallium-67, gallium-68, indium-111 or indium-113m and a substituted iminodiacetic acid or an 8-hydroxyquinoline useful as a radiopharmaceutical external imaging agent. The compounds described are suitable for intravenous injection, have an excellent in vivo stability and are good organ seekers. Tin(II) choride or other tin(II) compounds are used as chelating agents

Bis(5,7-dimethyl-8-hydroxyquinolinato)beryllium(II) complex as optoelectronic material

Energy Technology Data Exchange (ETDEWEB)

Singh, Devender, E-mail: devjakhar@gmail.com; Singh, Kapoor; Bhagwan, Shri; Saini, Raman Kumar; Kadyan, Pratap Singh; Singh, Ishwar

2016-01-15

Metal complex bis(5,7-dimethyl-8-hydroxyquinolinato)beryllium(II) as a light emissive material had been synthesized and characterized by various spectral techniques. The beryllium complex had high thermal stability (>250 °C) as well as high glass transition temperature (>115 °C). The prepared metal chelate had a strong photoluminescence (PL) emission at 558 nm (FWHM=72 nm) and electroluminescence (EL) at 561 nm (FWHM=55 nm) with good efficiency. Density functional theoretical calculations have been performed to demonstrate the three-dimensional geometries and the frontier molecular orbital energy levels of this metal complex. Sublimed metal chelate formed thin transparent film and found appropriate material for exploring their opto-electronic applications. OLED device was fabricated using this metal complex by vacuum deposition technique with the device configuration of ITO/TPD(30 nm)/Be-complex(30 nm)/BCP(6 nm)/Alq{sub 3}(28 nm)/LiF(1 nm)/Al(100 nm). The emitted color of the EL device showed Commission Internationale d'Eclairage (CIE) color coordinates as x=0.625, y=0.366 corresponding to greenish yellow color. The maximum luminescence of the fabricated device was reported 1364 Cd/m{sup 2} at 22 V. The maximum current efficiency and power efficiency were 1.75 Cd/A and 0.51 lm/W at 10 V respectively for the fabricated OLED device. - Highlights: • Novel greenish yellow light emitting beryllium complex with 5,7-dimethyl-8-hydroxyquinoline was prepared. • The prepared metal complex were characterized by elemental analysis, infrared spectroscopy (FTIR), proton nuclear magnetic resonance spectroscopy ({sup 1}H NMR), thermogravimetric analysis (TGA) as well as differential scanning calorimetry (DSC) techniques. • Electron density distribution and the frontier molecular orbital energy levels of resulting metal complex were computed by density functional theory in the course of DFT/B3LYP/6-31G(d,p) studies. • Sublimed synthesized metal complex of beryllium

Bis(5,7-dimethyl-8-hydroxyquinolinato)beryllium(II) complex as optoelectronic material

International Nuclear Information System (INIS)

Singh, Devender; Singh, Kapoor; Bhagwan, Shri; Saini, Raman Kumar; Kadyan, Pratap Singh; Singh, Ishwar

2016-01-01

Metal complex bis(5,7-dimethyl-8-hydroxyquinolinato)beryllium(II) as a light emissive material had been synthesized and characterized by various spectral techniques. The beryllium complex had high thermal stability (>250 °C) as well as high glass transition temperature (>115 °C). The prepared metal chelate had a strong photoluminescence (PL) emission at 558 nm (FWHM=72 nm) and electroluminescence (EL) at 561 nm (FWHM=55 nm) with good efficiency. Density functional theoretical calculations have been performed to demonstrate the three-dimensional geometries and the frontier molecular orbital energy levels of this metal complex. Sublimed metal chelate formed thin transparent film and found appropriate material for exploring their opto-electronic applications. OLED device was fabricated using this metal complex by vacuum deposition technique with the device configuration of ITO/TPD(30 nm)/Be-complex(30 nm)/BCP(6 nm)/Alq 3 (28 nm)/LiF(1 nm)/Al(100 nm). The emitted color of the EL device showed Commission Internationale d'Eclairage (CIE) color coordinates as x=0.625, y=0.366 corresponding to greenish yellow color. The maximum luminescence of the fabricated device was reported 1364 Cd/m 2 at 22 V. The maximum current efficiency and power efficiency were 1.75 Cd/A and 0.51 lm/W at 10 V respectively for the fabricated OLED device. - Highlights: • Novel greenish yellow light emitting beryllium complex with 5,7-dimethyl-8-hydroxyquinoline was prepared. • The prepared metal complex were characterized by elemental analysis, infrared spectroscopy (FTIR), proton nuclear magnetic resonance spectroscopy ( 1 H NMR), thermogravimetric analysis (TGA) as well as differential scanning calorimetry (DSC) techniques. • Electron density distribution and the frontier molecular orbital energy levels of resulting metal complex were computed by density functional theory in the course of DFT/B3LYP/6-31G(d,p) studies. • Sublimed synthesized metal complex of beryllium gave greenish

Crystal structure of bis(azido-κNbis(quinolin-8-amine-κ2N,N′iron(II

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Fatima Setifi

2016-10-01

Full Text Available The search for new molecular materials with interesting magnetic properties using the pseudohalide azide ion and quinolin-8-amine (aqin, C9H8N2 as a chelating ligand, led to the synthesis and structure determination of the title complex, [Fe(N32(C9H8N22]. The complex shows an octahedral geometry, with the FeII atom surrounded by six N atoms; the two N3− anions coordinate in a cis configuration, while the remaining N atoms originate from the two quinolin-8-amine ligands with the quinoline N atoms lying on opposite sides of the Fe atom. The crystal packing is dominated by layers of hydrophilic and aromatic regions parallel to the ac plane, stabilized by a two-dimensional hydrogen-bonded network and π–π stacking.

A Canonical Biotin Synthesis Enzyme, 8-Amino-7-Oxononanoate Synthase (BioF), Utilizes Different Acyl Chain Donors in Bacillus subtilis and Escherichia coli.

Science.gov (United States)

Manandhar, Miglena; Cronan, John E

2018-01-01

BioF (8-amino-7-oxononanoate synthase) is a strictly conserved enzyme that catalyzes the first step in assembly of the fused heterocyclic rings of biotin. The BioF acyl chain donor has long been thought to be pimeloyl-CoA. Indeed, in vitro the Escherichia coli and Bacillus sphaericus enzymes have been shown to condense pimeloyl-CoA with l-alanine in a pyridoxal 5'-phosphate-dependent reaction with concomitant CoA release and decarboxylation of l-alanine. However, recent in vivo studies of E. coli and Bacillus subtilis suggested that the BioF proteins of the two bacteria could have different specificities for pimelate thioesters in that E. coli BioF may utilize either pimeloyl coenzyme A (CoA) or the pimelate thioester of the acyl carrier protein (ACP) of fatty acid synthesis. In contrast, B. subtilis BioF seemed likely to be specific for pimeloyl-CoA and unable to utilize pimeloyl-ACP. We now report genetic and in vitro data demonstrating that B. subtilis BioF specifically utilizes pimeloyl-CoA. IMPORTANCE Biotin is an essential vitamin required by mammals and birds because, unlike bacteria, plants, and some fungi, these organisms cannot make biotin. Currently, the biotin included in vitamin tablets and animal feeds is made by chemical synthesis. This is partly because the biosynthetic pathways in bacteria are incompletely understood. This paper defines an enzyme of the Bacillus subtilis pathway and shows that it differs from that of Escherichia coli in the ability to utilize specific precursors. These bacteria have been used in biotin production and these data may aid in making biotin produced by biotechnology commercially competitive with that produced by chemical synthesis. Copyright © 2017 American Society for Microbiology.

Separation process for lanthanides based on solvation properties of non ionic surfactants

International Nuclear Information System (INIS)

Draye, M.; Favre-Reguillon, A.; Foos, J.; Cote, G.

2004-01-01

In the present study, cloud-point extraction is used with a lipophilic chelating agent (8-hydroxyquinoline) to extract and separate lanthanum (III) and gadolinium (III) from an aqueous solution. The methodology used is based on the formation of lanthanide (III) organic complexes that are soluble in a micellar phase of non-ionic surfactant. The lanthanide (III) complexes are then extracted into the surfactant-rich phase at a temperature above the cloud-point temperature. The cloud-point temperature, the structure of the lipophilic part of the nonionic surfactant and the chelating agent - metal molar ratio are identified as factors determining the extraction efficiency and selectivity. With Triton X-114, high selectivity and decontamination factor for Gd(III) is observed indicating that micelle mediated extraction involving cloud-point extraction is promising for the specific separation of actinide ions from nuclear waste solution. (authors)

Prismatic sealed nickel-cadmium batteries utilizing fiber structured electrodes. II - Applications as a maintenance free aircraft battery

Science.gov (United States)

Anderman, Menahem; Benczur-Urmossy, Gabor; Haschka, Friedrich

Test data on prismatic sealed Ni-Cd batteries utilizing fiber structured electrodes (sealed FNC) is discussed. It is shown that, under a voltage limited charging scheme, the charge acceptance of the sealed FNC battery is far superior to that of the standard vented aircraft Ni-Cd batteries. This results in the sealed FNC battery maintaining its capacity over several thousand cycles without any need for electrical conditioning or water topping. APU start data demonstrate superior power capabilities over existing technologies. Performance at low temperature is presented. Abuse test results reveal a safe fail mechanism even under severe electrical abuse.

The utility of comparative models and the local model quality for protein crystal structure determination by Molecular Replacement

Directory of Open Access Journals (Sweden)

Pawlowski Marcin

2012-11-01

Full Text Available Abstract Background Computational models of protein structures were proved to be useful as search models in Molecular Replacement (MR, a common method to solve the phase problem faced by macromolecular crystallography. The success of MR depends on the accuracy of a search model. Unfortunately, this parameter remains unknown until the final structure of the target protein is determined. During the last few years, several Model Quality Assessment Programs (MQAPs that predict the local accuracy of theoretical models have been developed. In this article, we analyze whether the application of MQAPs improves the utility of theoretical models in MR. Results For our dataset of 615 search models, the real local accuracy of a model increases the MR success ratio by 101% compared to corresponding polyalanine templates. On the contrary, when local model quality is not utilized in MR, the computational models solved only 4.5% more MR searches than polyalanine templates. For the same dataset of the 615 models, a workflow combining MR with predicted local accuracy of a model found 45% more correct solution than polyalanine templates. To predict such accuracy MetaMQAPclust, a “clustering MQAP” was used. Conclusions Using comparative models only marginally increases the MR success ratio in comparison to polyalanine structures of templates. However, the situation changes dramatically once comparative models are used together with their predicted local accuracy. A new functionality was added to the GeneSilico Fold Prediction Metaserver in order to build models that are more useful for MR searches. Additionally, we have developed a simple method, AmIgoMR (Am I good for MR?, to predict if an MR search with a template-based model for a given template is likely to find the correct solution.

New uranium chalcoantimonates, RbU{sub 2}SbS{sub 8} and KU{sub 2}SbSe{sub 8}, with a polar noncentrosymmetric structure

Energy Technology Data Exchange (ETDEWEB)

Choi, K S; Kanatzidis, M G

1999-09-01

The new compounds, RbU{sub 2}SbS{sub 8} and KU{sub 2}SbSe{sub 8}, were prepared as golden-black, blocklike crystals by the polychalcogenide molten flux method. RbU{sub 2}SbS{sub 8} has a two-dimensional character with layers running perpendicular to the c-axis. The coordination geometry around the U{sup 4+} atoms is best described as a bicapped trigonal prism. The trigonal prisms share triangular faces with neighboring prisms, forming one-dimensional columns along the a-axis. The columns are then joined to construct sheets by sharing capping S atoms. Sb{sup 3+} ions are sitting at the center of a slightly distorted seesaw coordination environment (CN = 4). Rb{sup +} ions are stabilized in 8-coordinate bicapped trigonal prismatic sites. KU{sub 2}SbSe{sub 8} has essentially the same structure as RbU{sub 2}SbS{sub 8}. However, Sb{sup 3+} and K{sup +} ions appear disordered in every other layer resulting in a different unit cell. RbU{sub 2}SbS{sub 8} is a semiconductor with a band gap of 1.38 eV. The band gap of KU{sub 2}SbSe{sub 8} could not be determined precisely due to the presence of overlapping intense f-f transitions in the region (0.5--1.1 eV). The Raman spectra show the disulfide stretching vibration in RbU{sub 2}SbS{sub 8} at 479 cm{sup {minus}1} and the diselenide stretching vibration in KU{sub 2}SbSe{sub 8} at 252 cm{sup {minus}1}. Magnetic susceptibility measurements indicate the presence of U{sup 4+} centers in the compounds. The compounds do not melt below 1,000 C under vacuum.

A structured review of health utility measures and elicitation in advanced/metastatic breast cancer.

Science.gov (United States)

Hao, Yanni; Wolfram, Verena; Cook, Jennifer

2016-01-01

Health utilities are increasingly incorporated in health economic evaluations. Different elicitation methods, direct and indirect, have been established in the past. This study examined the evidence on health utility elicitation previously reported in advanced/metastatic breast cancer and aimed to link these results to requirements of reimbursement bodies. Searches were conducted using a detailed search strategy across several electronic databases (MEDLINE, EMBASE, Cochrane Library, and EconLit databases), online sources (Cost-effectiveness Analysis Registry and the Health Economics Research Center), and web sites of health technology assessment (HTA) bodies. Publications were selected based on the search strategy and the overall study objectives. A total of 768 publications were identified in the searches, and 26 publications, comprising 18 journal articles and eight submissions to HTA bodies, were included in the evidence review. Most journal articles derived utilities from the European Quality of Life Five-Dimensions questionnaire (EQ-5D). Other utility measures, such as the direct methods standard gamble (SG), time trade-off (TTO), and visual analog scale (VAS), were less frequently used. Several studies described mapping algorithms to generate utilities from disease-specific health-related quality of life (HRQOL) instruments such as European Organization for Research and Treatment of Cancer Quality of Life Questionnaire - Core 30 (EORTC QLQ-C30), European Organization for Research and Treatment of Cancer Quality of Life Questionnaire - Breast Cancer 23 (EORTC QLQ-BR23), Functional Assessment of Cancer Therapy - General questionnaire (FACT-G), and Utility-Based Questionnaire-Cancer (UBQ-C); most used EQ-5D as the reference. Sociodemographic factors that affect health utilities, such as age, sex, income, and education, as well as disease progression, choice of utility elicitation method, and country settings, were identified within the journal articles. Most

Dynameomics: Data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction

Science.gov (United States)

Rysavy, Steven J; Beck, David AC; Daggett, Valerie

2014-01-01

Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼25–75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. PMID:25142412

Dynameomics: data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction.

Science.gov (United States)

Rysavy, Steven J; Beck, David A C; Daggett, Valerie

2014-11-01

Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼ 25-75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. © 2014 The Protein Society.

Calculating cost savings in utilization management.

Science.gov (United States)

MacMillan, Donna

2014-01-01

A major motivation for managing the utilization of laboratory testing is to reduce the cost of medical care. For this reason it is important to understand the basic principles of cost accounting in the clinical laboratory. The process of laboratory testing includes three distinct components termed the pre-analytic, analytic and post-analytic phases. Utilization management efforts may impact the cost structure of these three phases in different ways depending on the specific details of the initiative. Estimates of cost savings resulting from utilization management programs reported in the literature have often been fundamentally flawed due to a failure to understand basic concepts such as the difference between laboratory costs versus charges and the impact of reducing laboratory test volumes on the average versus marginal cost structure in the laboratory. This article will provide an overview of basic cost accounting principles in the clinical laboratory including both job order and process cost accounting. Specific examples will be presented to illustrate these concepts in various different scenarios. © 2013.

Benzo(a)pyrene-7,8-dihydrodiol 9,10-oxide adenosine and deoxyadenosine adducts: structure and stereochemistry.

Science.gov (United States)

Jeffrey, A M; Grzeskowiak, K; Weinstein, I B; Nakanishi, K; Roller, P; Harvey, R G

1979-12-14

The structure and absolute stereoconfigurations of four adenosine adducts with (+/-)-7 alpha,8 beta-dihydroxy-9 beta, 10 beta-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene (BPDE) and their deoxyadenosine analogs have been determined. They result from both cis and trans addition of the N6 amino group of ademine to the 10 position of both enantiomers of BDPE. This was determined from studies of the nuclear magnetic resonance spectra, mass spectra, and circular dichroism spectra, as well as from their pKa values and chemical reactivities.

Community structure of waterbirds in several type of wetland utilization in East Coast of Surabaya

Directory of Open Access Journals (Sweden)

Ragil Siti Rihadini

2013-10-01

Full Text Available Natural wetlands are the natural habitat of waterbirds, but it is very diffi cult to fi nd an unspoiled wetlands without human intervention curently. East coast of Surabaya is wetlands area in Surabaya that most of the region have change into fi shpond and residental. The aims of this reasearch are to determine the community structure of waterbirds in each type of wetland utilization and to determine if the different type of wetland utilization infl uence the community structure of waterbirds in East Coast of Surabaya. Data were collected during August 2012 to January 2013 with point count method. Six sampling plots have been selected. Six sampling plots representing four types of use of wetlands, which are bozem, the former fi shpond, fi shpond with vegetation, and fi shponds without vegetation (fi shpond 1, fi shpond 2 and fi shpond 3. In bozem recorded 19 species of waterbirds (1107 individual, dominated by shorebirds, with a diversity index (H' 1.86, and evenness index (J' 0.63. In former fi shpond recorded 7 species of water birds (168 individual, dominated by rails and moorhen, with H’ = 1.12 and J’ = 0.57. In fi shpond with vegetation recorded 12 species of water birds (137 individual, dominated by large wader, with H’ = 1.85 and J’ = 0.74. In fi shpond 1 recorded 18 species of water birds (299 individual, dominated by terns, with H’ = 1.96 and J’ = 0.68. In fi shpond 2 recorded 9 species of water birds (70 individual, dominated by terns, with H’ = 1.73 and J’ = 0.79. In fi shpond 3 recorded 10 species of water birds (83 individual, dominated by terns, with H’ = 1.84 and J’ = 0.80. Chi-square test showed that X2 count is greater than X2 table with α < 0.05, which indicates that there is a signifi cant difference of the number of individuals of each species and the number of individual of each water birds’ group for each type of use of wetlands, so it can be

Utility customer issues

International Nuclear Information System (INIS)

Downey, W.H.

1997-01-01

Customer issues affected by the restructuring of the $250 billion US electric power industry were discussed. In the past the industry's vertically integrated utilities conducted their business in protected geographic markets. With deregulation and greater competition, that industry structure will change. This presentation highlighted the strategies that Unicom is using to react to the restructuring of the electric power industry. The underlying principle is for the utility to reinvent itself to change its market orientation and focus on customer services, such as reliability, responsiveness, custom tailored solutions, and guaranteed savings over time. Attempting to become total energy providers and delivering integrated solutions to meet the needs of large industrial and commercial consumers, intensive market research, improved service and installation, and sophisticated customer retention initiatives will also have to be high on the agenda

8,12;8,20-Diepoxy-8,14-secopregnane glycosides from the aerial parts of Asclepias tuberosa.

Science.gov (United States)

Warashina, Tsutomu; Noro, Tadataka

2010-02-01

Further study of constituents from the aerial parts of Asclepias tuberosa afforded twenty-two new steroidal glycosides along with tuberoside B(5) and G(5). These glycosides were confirmed to contain 8,12;8,20-diepoxy-8,14-secopregnanes, tuberogenin and its congeners, as their aglycones. The structure of each of these compounds was elucidated based on the interpretation of NMR and MS measurements and from chemical evidence.

Structural, optical and electrical properties of CuIn{sub 5}S{sub 8} thin films grown by thermal evaporation method

Energy Technology Data Exchange (ETDEWEB)

Gannouni, M., E-mail: gm_mounir@yahoo.fr [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs -ENIT BP 37, Le belvedere 1002-Tunis (Tunisia); Kanzari, M. [Laboratoire de Photovoltaique et Materiaux Semi-conducteurs -ENIT BP 37, Le belvedere 1002-Tunis (Tunisia)

2011-05-19

Highlights: > In this work, thin films of CuIn{sub 5}S{sub 8} were successfully deposited onto glass substrates by thermal evaporation and annealed in air. > Post-depositional annealing effects on structural, optical and electrical properties of thermal evaporated CuIn{sub 5}S{sub 8} thin films were studied. > The results reported in this work make this material attractive as an absorber material in solar cells applications. - Abstract: Stoichiometric compound of copper indium sulfur (CuIn{sub 5}S{sub 8}) was synthesized by direct reaction of high purity elemental copper, indium and sulfur in an evacuated quartz tube. The phase structure of the synthesized material revealed the cubic spinel structure. The lattice parameter (a) of single crystals was calculated to be 10.667 A. Thin films of CuIn{sub 5}S{sub 8} were deposited onto glass substrates under the pressure of 10{sup -6} Torr using thermal evaporation technique. CuIn{sub 5}S{sub 8} thin films were then thermally annealed in air from 100 to 300 deg. C for 2 h. The effects of thermal annealing on their physico-chemical properties were investigated using X-ray diffraction (XRD), Energy-dispersive X-ray spectroscopy (EDX), scanning electron microscope (SEM), optical transmission and hot probe method. XRD studies of CuIn{sub 5}S{sub 8} thin films showed that as-deposited films were amorphous in nature and transformed into polycrystalline spinel structure with strong preferred orientation along the (3 1 1) plane after the annealing at 200 deg. C. The composition is greatly affected by thermal treatment. From the optical transmission and reflection, an important absorption coefficient exceeds 10{sup 4} cm{sup -1} was found. As increasing the annealing temperature, the optical energy band gap decreases from 1.83 eV for the as-deposited films to 1.43 eV for the annealed films at 300 deg. C. It was found that CuIn{sub 5}S{sub 8} thin film is an n-type semiconductor at 300 deg. C.

Supercapacitor electrode materials with hierarchically structured pores from carbonization of MWCNTs and ZIF-8 composites.

Science.gov (United States)

Li, Xueqin; Hao, Changlong; Tang, Bochong; Wang, Yue; Liu, Mei; Wang, Yuanwei; Zhu, Yihua; Lu, Chenguang; Tang, Zhiyong

2017-02-09

Due to their high specific surface area and good electric conductivity, nitrogen-doped porous carbons (NPCs) and carbon nanotubes (CNTs) have attracted much attention for electrochemical energy storage applications. In the present work, we firstly prepared MWCNT/ZIF-8 composites by decoration of zeolitic imidazolate frameworks (ZIF-8) onto the surface of multi-walled CNTs (MWCNTs), then obtained MWCNT/NPCs by the direct carbonization of MWCNT/ZIF-8. By controlling the reaction conditions, MWCNT/ZIF-8 with three different particle sizes were synthesized. The effect of NPCs size on capacitance performance has been evaluated in detail. The MWCNT/NPC with large-sized NPC (MWCNT/NPC-L) displayed the highest specific capacitance of 293.4 F g -1 at the scan rate of 5 mV s -1 and only lost 4.2% of capacitance after 10 000 cyclic voltammetry cycles, which was attributed to the hierarchically structured pores, N-doping and high electrical conductivity. The studies of symmetric two-electrode supercapacitor cells also confirmed MWCNT/NPC-L as efficient electrode materials that have good electrochemical performance, especially for high-rate applications.

Halo structure of 8B determined from intermediate energy proton elastic scattering in inverse kinematics

Science.gov (United States)

Korolev, G. A.; Dobrovolsky, A. V.; Inglessi, A. G.; Alkhazov, G. D.; Egelhof, P.; Estradé, A.; Dillmann, I.; Farinon, F.; Geissel, H.; Ilieva, S.; Ke, Y.; Khanzadeev, A. V.; Kiselev, O. A.; Kurcewicz, J.; Le, X. C.; Litvinov, Yu. A.; Petrov, G. E.; Prochazka, A.; Scheidenberger, C.; Sergeev, L. O.; Simon, H.; Takechi, M.; Tang, S.; Volkov, V.; Vorobyov, A. A.; Weick, H.; Yatsoura, V. I.

2018-05-01

The absolute differential cross section for small-angle proton elastic scattering on the proton-rich 8B nucleus has been measured in inverse kinematics for the first time. The experiment was performed using a secondary radioactive beam with an energy of 0.7 GeV/u at GSI, Darmstadt. The active target, namely hydrogen-filled time projection ionization chamber IKAR, was used to measure the energy, angle and vertex point of the recoil protons. The scattering angle of the projectiles was simultaneously determined by the tracking detectors. The measured differential cross section is analyzed on the basis of the Glauber multiple scattering theory using phenomenological nuclear-density distributions with two free parameters. The radial density distribution deduced for 8B exhibits a halo structure with the root-mean-square (rms) matter radius Rm = 2.58 (6) fm and the rms halo radius Rh = 4.24 (25) fm. The results on 8B are compared to those on the mirror nucleus 8Li investigated earlier by the same method. A comparison is also made with previous experimental results and theoretical predictions for both nuclei.

LiCa{sub 4}Si{sub 4}N{sub 8}F and LiSr{sub 4}Si{sub 4}N{sub 8}F. Nitridosilicate fluorides with a BCT-zeolite-type network structure

Energy Technology Data Exchange (ETDEWEB)

Horky, Katrin; Schnick, Wolfgang [Department of Chemistry, Inorganic Solid-State, Chemistry, University of Munich (LMU), Butenandtstrasse 5-13, 81377, Munich (Germany)

2017-02-17

LiCa{sub 4}Si{sub 4}N{sub 8}F and LiSr{sub 4}Si{sub 4}N{sub 8}F were synthesized from Si{sub 3}N{sub 4}, LiNH{sub 2}, CaH{sub 2}/SrH{sub 2}, and LiF through a metathesis reaction in a radiofrequency furnace. The crystal structures of both compounds were solved and refined on the basis of single-crystal X-ray diffraction data [LiCa{sub 4}Si{sub 4}N{sub 8}F: P2{sub 1}/c (no. 14), a = 10.5108(3), b = 9.0217(3), c = 10.3574(3) Aa, β = 117.0152(10) , R{sub 1} = 0.0422, wR{sub 2} = 0.0724, Z = 4; LiSr{sub 4}Si{sub 4}N{sub 8}F: P4nc (no. 104), a = 9.3118(4), b = 9.3118(4), c = 5.5216(2) Aa, R{sub 1} = 0.0160, wR{sub 2} = 0.0388, Z = 2]. The silicate substructure of both compounds is built up of vertex-sharing SiN{sub 4} tetrahedra, thereby forming a structure analogous to the BCT zeolite with Ca{sup 2+}/Sr{sup 2+}, Li{sup +}, and F{sup -} ions filling the voids. The crystal structure of LiSr{sub 4}Si{sub 4}N{sub 8}F is homeotypic with that of Li{sub 2}Sr{sub 4}Si{sub 4}N{sub 8}O as it exhibits the same zeolite-type [SiN{sub 2}]{sup 2-} framework, but incorporates LiF instead of Li{sub 2}O. In contrast to the respective Sr compound, LiCa{sub 4}Si{sub 4}N{sub 8}F shows a distortion of the BCT-zeolite-type network as well as an additional site for F. Both F sites in LiCa{sub 4}Si{sub 4}N{sub 8}F exhibit different coordination spheres to LiSr{sub 4}Si{sub 4}N{sub 8}F. The title compounds are the first reported lithium alkaline-earth nitridosilicates containing fluorine. The crystal structures were confirmed by lattice-energy calculations (MAPLE), energy-dispersive X-ray spectroscopy (EDX) measurements, and powder X-ray diffraction. IR spectra confirmed the absence of N-H bonds. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

17 CFR 210.8-07 - Limited partnerships.

Science.gov (United States)

2010-04-01

..., PUBLIC UTILITY HOLDING COMPANY ACT OF 1935, INVESTMENT COMPANY ACT OF 1940, INVESTMENT ADVISERS ACT OF... Reporting Companies § 210.8-07 Limited partnerships. (a) Smaller reporting companies that are limited... 17 Commodity and Securities Exchanges 2 2010-04-01 2010-04-01 false Limited partnerships. 210.8-07...

Environmental impact assessment using a utility-based recursive evidential reasoning approach for structural flood mitigation measures in Metro Manila, Philippines.

Science.gov (United States)

Gilbuena, Romeo; Kawamura, Akira; Medina, Reynaldo; Nakagawa, Naoko; Amaguchi, Hideo

2013-12-15

In recent years, the practice of environmental impact assessment (EIA) has created significant awareness on the role of environmentally sound projects in sustainable development. In view of the recent studies on the effects of climate change, the Philippine government has given high priority to the construction of flood control structures to alleviate the destructive effects of unmitigated floods, especially in highly urbanized areas like Metro Manila. EIA thus, should be carefully and effectively carried out to maximize or optimize the potential benefits that can be derived from structural flood mitigation measures (SFMMs). A utility-based environmental assessment approach may significantly aid flood managers and decision-makers in planning for effective and environmentally sound SFMM projects. This study proposes a utility-based assessment approach using the rapid impact assessment matrix (RIAM) technique, coupled with the evidential reasoning approach, to rationally and systematically evaluate the ecological and socio-economic impacts of 4 planned SFMM projects (i.e. 2 river channel improvements and 2 new open channels) in Metro Manila. Results show that the overall environmental effects of each of the planned SFMM projects are positive, which indicate that the utility of the positive impacts would generally outweigh the negative impacts. The results also imply that the planned river channel improvements will yield higher environmental benefits over the planned open channels. This study was able to present a clear and rational approach in the examination of overall environmental effects of SFMMs, which provides valuable insights that can be used by decision-makers and policy makers to improve the EIA practice and evaluation of projects in the Philippines. Copyright © 2013 Elsevier Ltd. All rights reserved.

Structural phase transition and multiferroic properties of Bi0.8A0.2Fe0.8Mn0.2O3 (A = Ca, Sr)

Science.gov (United States)

Rout, Jyoshna; Choudhary, R. N. P.

2018-05-01

The multiferroic BiFeO3 and Bi0.8A0.2Fe0.8Mn0.2O3 (A = Ca, Sr) have been synthesized using direct mechanosynthesis. Detailed investigations were made on the influence of Ca-Mn and Sr-Mn co-substitutions on the structure change, electric and magnetic properties of the BFO. Rietveld refinement on the XRD pattern of the modified samples clarifies the structural transition from R3c:H (parent BiFeO3) to the biphasic structure (R3c: H + Pnma). Scanning electron micrographs confirmed the polycrystalline nature of the materials and each of the microstructure comprised of uniformly distributed grains with less porosity. The dielectric measurements reveal that enhancement in dielectric properties due to the reduction of oxygen vacancies by substitutional ions. Studies of frequency-dependence of impedance and related parameters exhibit that the electrical properties of the materials are strongly dependent on temperature, and bear a good correlation with its microstructure. The bulk resistance (evaluated from impedance studies) is found to decrease with increasing temperature for all the samples. The alternating current (ac) conductivity spectra show a typical signature of an ionic conducting system, and are found to obey Jonscher's universal power law. Preliminary studies of magnetic characteristics of the samples reveal enhanced magnetization for Ca-Mn co-substituted sample. The magnetoelectric coefficient as the function of applied dc magnetizing field under fixed ac magnetic field 15.368 Oe is measured and this ME coefficient αME corresponds to induction of polarization by a magnetic field.

Factors affecting utilization of university health services in a tertiary institution in South-West Nigeria.

Science.gov (United States)

Obiechina, G O; Ekenedo, G O

2013-01-01

Most university health services have extensive health infrastructures, for the provision of effective and efficient health services to the students. In this study, we have tried to determine student's perception of factors affecting their utilization. To determine students' perception of health care services provided in a tertiary institution and assess students' attitude towards utilization. Simple random sampling technique was used to select 540 respondents, comprising of 390 males and 150 females. A structured and self-administered questionnaire was the instrument used to collect data for the study, while data collected was analyzed using descriptive statistics of frequency count and percentage. High cost of drugs (72.0%), non availability of essential drugs (54.8%), time spent waiting for treatment (67.2%), inadequate referral services (81.7%), and satisfaction with services (60.6%) were considered by the respondents as factors affecting the utilization of university health services. Students-medical staff relationship and accessibility to health facility (77.6% and 74.3% respectively) were, however, not considered as factors that affect utilization of university health services. It is recommended that to improve utilization and cost of care, government should make necessary efforts to incorporate tertiary institution into National Health Insurance scheme so that students above the age of 18 years can benefit from free treatment.

Influence of organizational characteristics and context on research utilization.

Science.gov (United States)

Cummings, Greta G; Estabrooks, Carole A; Midodzi, William K; Wallin, Lars; Hayduk, Leslie

2007-01-01

Despite three decades of empirical investigation into research utilization and a renewed emphasis on evidence-based medicine and evidence-based practice in the past decade, understanding of factors influencing research uptake in nursing remains limited. There is, however, increased awareness that organizational influences are important. To develop and test a theoretical model of organizational influences that predict research utilization by nurses and to assess the influence of varying degrees of context, based on the Promoting Action on Research Implementation in Health Services (PARIHS) framework, on research utilization and other variables. The study sample was drawn from a census of registered nurses working in acute care hospitals in Alberta, Canada, accessed through their professional licensing body (n = 6,526 nurses; 52.8% response rate). Three variables that measured PARIHS dimensions of context (culture, leadership, and evaluation) were used to sort cases into one of four mutually exclusive data sets that reflected less positive to more positive context. Then, a theoretical model of hospital- and unit-level influences on research utilization was developed and tested, using structural equation modeling, and 300 cases were randomly selected from each of the four data sets. Model test results were as follows--low context: chi2= 124.5, df = 80, p low: chi2= 144.2, p high: chi2= 157.3, df = 80, p low: chi2= 146.0, df = 80, p contexts with more positive culture, leadership, and evaluation also reported significantly more research utilization, staff development, and lower rates of patient and staff adverse events than did nurses working in less positive contexts (i.e., those that lacked positive culture, leadership, or evaluation). The findings highlight the combined importance of culture, leadership, and evaluation to increase research utilization and improve patient safety. The findings may serve to strengthen the PARIHS framework and to suggest that, although

Mental health help-seeking attitudes, utilization, and intentions among older Chinese immigrants in Canada.

Science.gov (United States)

Tieu, Yvonne; Konnert, Candace A

2014-03-01

This study had three objectives. First, to determine the extent to which demographic factors, perceived social support, and Chinese cultural beliefs predict attitudes toward mental health help seeking; second, to assess mental health utilization; and third, to assess intentions to utilize mental health services among older Chinese immigrants in Canada aged 55 and above. A total of 149 older Chinese adults (M = 73.92 years, SD = 9.99, range = 55-95 years) completed a semi-structured interview protocol in Cantonese or Mandarin. Demographic and health information were collected, and questionnaires assessing perceived social support, mental health help-seeking attitudes, and belief in Chinese culture and values were administered. Demographic and health information, perceived social support, Chinese cultural beliefs and values accounted for 21.8% of the variance in help-seeking attitudes. Descriptive data related to mental health utilization and intentions are provided. Older Chinese participants exhibited less positive attitudes that were significantly associated with Chinese cultural beliefs and values. Implications for practice with older Chinese adults are also discussed.

Synthesis, crystal structure, and physical properties of the Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} phases

Energy Technology Data Exchange (ETDEWEB)

Forbes, Scott; Yuan, Fang [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Kosuda, Kosuke; Kolodiazhnyi, Taras [Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada)

2016-01-15

The second and third known rare-earth bismuthide oxides, Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8}, have been discovered via high temperature reactions at 1300 °C. Like its Gd–Sb–O counterparts, the Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} phases crystallize in the monoclinic C2/m space group, with the latter containing disordered Bi atoms along the b direction of the unit cell. Unlike the RE{sub 8}Sb{sub 3}O{sub 8} series, the formation of the Gd{sub 3}BiO{sub 3} phase does not necessarily precede the formation of Gd{sub 8}Bi{sub 3}O{sub 8}, which is likely due to the difficulty of accommodating bismuth in the RE–O framework due to its larger size. Physical property measurements performed on a pure Gd{sub 8}Bi{sub 3}O{sub 8} sample reveal semiconducting behavior. Although electronic structure calculations predict metallic behavior due to an unbalanced electron count, the semiconducting behavior originates from the Anderson localization of the Bi p states near the Fermi level as a result of atomic disorder. - Graphical abstract: Reaction of GdBi and Gd{sub 2}O{sub 3} at high temperatures yields Gd–Bi–O phases. - Highlights: • Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8}, the second and third rare-earth bismuthide oxides, have been discovered. • Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} are isostructural with RE{sub 3}SbO{sub 3} and RE{sub 8}Sb{sub 3}O{sub 8}. • Gd{sub 8}Bi{sub 3}O{sub 8} displays semiconducting behavior despite an unbalanced electron count. • Anderson localization of Bi p states results in semiconducting behavior in Gd{sub 8}Bi{sub 3}O{sub 8}.

Growth of solid solutions with colquiriite structure LiCa0,2Sr0,8AlF6: Ce3+

International Nuclear Information System (INIS)

Shavelev, A A; Nizamutdinov, A S; Semashko, V V; Marisov, M A

2014-01-01

Aim of this work were experiments on growing new materials based on fluoride crystals with the colquiriite structure LiSr 0,8 Ca 0,2 F 6 , as well as the study of their phase composition. It is shown that for a series of crystals LiSr 0,8 Ca 0,2 F 6 distribution of reflections observed corresponds to the colquiriite structure, and the dependence of the lattice constant in the transition from LiCaAlF 6 crystal to LiSrAlF 6 crystal is linear. Also it found that absorption coefficient in mixed samples is much larger than in not mixed

Technology assessment of long distance liquid natural gas pipelines. Phase 8. Cold utilization and rural service

Energy Technology Data Exchange (ETDEWEB)

1977-02-01

This phase of the investigation presents a summary of material relating to: (1) actual or potential applications for the very large refrigeration effects inherent in the vaporization of liquid natural gas; and (2) rural service gas supplies adjacent to the route of a trunk liquid natural gas line. A variety of concepts for cold utilization are discussed. The Canadian prospects for cold utilization include: electric power generation; oxygen production for integration with a coal gasification project; and the use of refrigeration stages in the petrochemical processing of natural gas, for example, ethane separation and processing to produce ethylene and ammonia.

Macrofaunal community structure in Bahía Concepción (Chile) before and after the 8.8 Mw Maule mega-earthquake and tsunami.

Science.gov (United States)

Cárcamo, Paula J; Hernández-Miranda, Eduardo; Veas, Rodrigo; Quiñones, Renato A

2017-09-01

Faunal assemblages of subtidal sedimentary environments are key components of coastal ecosystems. Benthic communities inhabiting the coastal zone near urban centers in Concepción Bay (Chile) have been described as highly disturbed (i.e. impoverished in diversity and species richness). This is due to the frequent presence of hypoxic conditions at the bottom due to the intrusion of low oxygen Equatorial Subsurface Water, high natural productivity and the high load of organic matter generated by several anthropogenic activities. A mega-earthquake (8.8 Mw) and subsequent tsunami occurred on the coast of south-central Chile on February 27, 2010 (27F), heavily impacting Concepción Bay, which is located 30 km south of the epicenter. The objectives of the present study are: (i) to evaluate the effect produced by the mega-earthquake and tsunami on the benthic community, and (ii) to assess dissimilarity in macrofauna composition and abundance in Concepción Bay at an inter-decadal time scale based on a comparison between our sampling conducted between 2010 and 2013 and information published since 1969. Our results show that the benthic macrofauna of Concepción Bay was disturbed by the 27F (i.e. high community dissimilarity in 2010). Changes in community structure were observed at an inter-annual scale (i.e. diminished community dissimilarity in 2013), suggesting a recovery post-27F. At an inter-decadal scale, community structure post-27F was dissimilar to the structure described for the 1980's and 1990's but more similar to that reported for 1969. The reducing conditions of the sediments due to the high input of organic matter that took place in the 1980's and 1990's may explain this dissimilarity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Photoluminescence and Coordination Behaviour of Lanthanide Complexes of Tris (Aminomethyl)Ethane-5-Oxine in Aqueous Solution.

Science.gov (United States)

Akbar, Rifat; Baral, Minati; Kanungo, B K

2017-01-01

Photophysical properties of a multidentate tripodal ligand, 5,5'-(2-(((8-hydroxyquinolin-5-yl) methylamino)methyl)-2-methylpropane-1,3-diyl) bis (azanediyl)bis (methylene)diquinolin-8-ol, (TAME5OX), with La 3+ and Er 3+ ions have been examined for photonics applications. The change in behavior in electronic spectra of these complexes reveals the use of TAME5OX as a sensitive optical pH based sensor to detect Ln 3+ ions whereas indication of strong green fluorescence allows simultaneous sensing within the visible region in competitive medium. The intense fluorescence intermittently gets quenched under acidic and basic conditions due to photoinduced intramolecular electron transfer from the excited 8-hydroxyquinoline (8-HQ) moiety to the metal ion. This renders these compounds the OFF-ON-OFF type of pH-dependent fluorescent sensor. The thermodynamic stability and coordination behaviour of the chelator with the said lanthanide ions have also been probed by potentiometric, UV - visible and fluorescence spectrophotometric method. TAME5OX forms protonated complex [Ln (H 4 L)] 4+ below pH ~4.0 which sequentially deprotonates through one proton process with increase of pH. The stability constants of neutral complexes have been determined to be in the range log β 110  = 32-34 and pLn in the range of 14-20, indicating TAME5OX is a good synthetic lanthanide chelator. Theoretical spectra were also calculated by ZINDO/s methodology at single excitations (CIS) level on PM7 as sparkle energy-minimized geometries.

Structural and compositional optimization of the LiNi0.8Co0.2O2 electrode by new synthesis conditions

International Nuclear Information System (INIS)

Mosqueda L, Y.; Milian P, C. R.; Pomares A, M.; Rodriguez H, J.; Perez C, E.

2012-01-01

The optimization of citrate precursor method to obtain the LiNi 0.8 Co 0.2 O 2 oxide from the thermal decomposition of the citrate precursor (NH 4 ) 3 LiNi 0.8 Co 0.2 (C 6 H 5 O 7 ) is presented. The optimization procedure consists of both the lithium atmosphere and the reaction time control during the decomposition of the citrate precursor. Were obtained and characterized two kind of the (Li l-x Ni x )(Ni 0.8 Co 0.2 )O 2 oxides, with and without optimized synthesis conditions, identified as A and B oxides, respectively. The A and B oxides are characterized by compositional, structural and electrochemical studies. The results showed that is possible to reach the ordered oxide phase at smaller reaction time if the lithium atmosphere is controlled. From the combination of the chemical analysis by Icp and the DRX Rietveld structural refinement it is possible to establish the Li, Ni(II), Ni(III) and Co(III) composition with great accuracy. The resulted structural and compositional transformations have a close relation with technological parameters of the rechargeable lithium battery using Li Ni 0.8 Co 0.2 O 2 oxide as cathode. (Author)

Structure of the heterotrimeric PCNA from Sulfolobus solfataricus

International Nuclear Information System (INIS)

Williams, Gareth J.; Johnson, Kenneth; Rudolf, Jana; McMahon, Stephen A.; Carter, Lester; Oke, Muse; Liu, Huanting; Taylor, Garry L.; White, Malcolm F.; Naismith, James H.

2006-01-01

The structure of the heterotrimeric PCNA complex from S. sulfataricus is reported to 2.3 Å. PCNA is a ring-shaped protein that encircles DNA, providing a platform for the association of a wide variety of DNA-processing enzymes that utilize the PCNA sliding clamp to maintain proximity to their DNA substrates. PCNA is a homotrimer in eukaryotes, but a heterotrimer in crenarchaea such as Sulfolobus solfataricus. The three proteins are SsoPCNA1 (249 residues), SsoPCNA2 (245 residues) and SsoPCNA3 (259 residues). The heterotrimeric protein crystallizes in space group P2 1 , with unit-cell parameters a = 44.8, b = 78.8, c = 125.6 Å, β = 100.5°. The crystal structure of this heterotrimeric PCNA molecule has been solved using molecular replacement. The resulting structure to 2.3 Å sheds light on the differential stabilities of the interactions observed between the three subunits and the specificity of individual subunits for partner proteins.

Genetic structure and diversity of three Colombian southwest afrodescendent populations using 8 STR's

International Nuclear Information System (INIS)

Guauque Olarte, Sandra; Fuentes Pardo, Angela Patricia; Cardenas Henao, Heiber; Barreto, Guillermo

2010-01-01

To estimate the diversity, structure and genetic flow in three Colombian southwest afrodescendent populations (Buenaventura, Mulalo y Tumaco), the alleles revealed by 8 autosomal STR's were analyzed in 78 no-related individuals, by the use of PCR and comparison with specific allelic ladders for every system resolved by polyacrylamide gel (8%). the results were compared with 2 Amerindian populations (Awa-Kuaikier and Coyaima) and 2 mixed Colombian populations (Valle del Cauca and Cauca). For the afrodescendent and Amerindian populations was found moderate diversity (h between 0.768±0.414 and 0.796±0.424), in contrast, the mixed population showed higher rates (>0.803), which is probably caused by mixing with Amerindians, that also can explain the high endogamy seen in mixed populations. The AMOVA exhibited moderate genetic structure between the afrodescendent populations (FST= 0.098; p<0.05), but higher between the three ethnical groups compared (FST=0.26723; p<0.05). The closer genetics distances are in favor of Tumaco and Buenaventura, supported for the migration rate found (34.298), which was the same inside of Amerindian and mixed populations. Maybe, because Mulalo is a closed isolated population, its differences in front others afrodescendent populations are explained. The neighbor-joining tree showed nearest relations among Amerindian and mixed populations, furthermore, the ancestral character for the afrodescendents. That sustains the idea of genetic flow maintained between the 3 ethnical groups, principally between Amerindian and mixed populations, supported because the genetic differences, migration rates and Amerindian matrilineality reported in the literature

Tuning open-circuit voltage in organic solar cells by magnesium modified Alq3

OpenAIRE

Chou, Chi-Ta; Lin, Chien-Hung; Wu, Meng-Hsiu; Cheng, Tzu-Wei; Lee, Jiun-Haw; Liu, Chin-Hsin J.; Tai, Yian; Chattopadhyay, Surojit; Wang, Juen-Kai; Chen, Kuei-Hsien; Chen, Li-Chyong

2011-01-01

The low molecular weight tris-(8-hydroxyquinoline) aluminum (Alq3) has been incorporated with magnesium (Mg) that altered the nature of its opto-electronic characteristics. The lowering of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) in Mg:Alq3, compared to pure Alq3, creates a stronger field (exceeding the exciton binding energy) at the donor-acceptor junction to dissociate the photo-generated exciton and also provides a low barrier for electro...

Highly effective synthesis of a cobalt(ii) metal-organic coordination polymer by using continuous flow chemistry.

Science.gov (United States)

Gong, Chunhua; Zhang, Junyong; Zeng, Xianghua; Xie, Jingli

2016-12-20

The coordination polymer [Co 2 L 4 (H 2 O) 2 ]·CH 3 CN·H 2 O (HL = (E)-2-[2-(4-chlorophenyl)vinyl]-8-hydroxyquinoline) has been achieved with 95% yield by using an Asia flow synthesis system (chip reactor). Compared with the conventional batch-type methods such as diffusion, reflux and solvothermal reactions, higher yielding reactions carried out in a flow reactor have demonstrated that this technique is a powerful strategy to obtain coordination compounds.

Structural and biocompatibility properties of dextran from Weissella cibaria JAG8 as food additive.

Science.gov (United States)

Tingirikari, Jagan Mohan Rao; Kothari, Damini; Shukla, Rishikesh; Goyal, Arun

2014-09-01

Dextran produced from Weissella cibaria JAG8 was purified and characterized. The molecular mass of dextran as determined by the gel filtration and copper bicinchoninate method was approximately, 800 kDa. Monosaccharide analysis revealed that the polysaccharide comprised only glucose units. Dynamic light scattering study confirmed the mono-disperse nature of dextran with hydrodynamic radius of 900 nm. Surface morphology study of dextran by scanning electron microscopy showed the porous web like structure. Cytotoxicity studies on human cervical cancer (HeLa) cell line showed non-toxic and biocompatible nature of dextran. The relative browning for dextran from W. cibaria JAG8 was similar to commercial prebiotic Nutraflora P-95 and 3-fold lower than Raftilose P-95. Synthesis of dextran by dextransucrase treated, sucrose-supplemented skimmed milk revealed the promising potential of dextran as a food additive.

Cleveland, Toledo utilities merge to aid N-projects

International Nuclear Information System (INIS)

Utroska, D.

1985-01-01

A decision by the Cleveland Electric Illuminating Co. and Toledo Edison to merge was spurred by the need to strengthen their access to capital markets in order to complete several nuclear power plants now under construction and to possibly mitigate the impact of large rate increases on Ohio ratepayers. The two utilities will continue as local companies. If they obtain approval from the Securities and Exchange, the Ohio Public Utilities, and the Nuclear Regulatory Commissions for the $8 million affiliation, the new holding company will be among the 20 largest electric utilities in terms of the market value of its common stock. Some industry observers see this as a harbinger of more utility mergers. 1 figure

Utilities and energy efficiency Denmark report

Energy Technology Data Exchange (ETDEWEB)

Olesen, G.B.; Lyck, N.C.

1996-11-01

The report is the Danish contribution to the project `Utilities and Energy Efficiency` produced for the European Commission by IET, Nikkel straat 15, 4823 AE Breda, The Netherlands. Information is given under the headings of existing situation and desired situation. Recommendations are also given under the headings of legislation concerning the objectives of the utilities, of government programs and targets, of organizational structure, required market dependence and internal objectives of the utilities, for regulation and standardization, and of tariff structure. Flow diagrams are presented for the Danish energy system 1990, 1993. The 1993 follow up of the energy plan `Energy 2000` points out that the goals set up at that time, first and foremost the 20% reduction in CO{sub 2} emissions in 2005 compared to the 1988 level, will not be reached without changes in policy, such as an increase in the use of renewable energy, more transparent and consistent tariff systems as a greater incentive for energy conservation, regulations on thermal insulation of houses, increase in public information activities,a new subsidy scheme to stimulate improvements of energy efficiency in buildings and regulations on energy supply to large buildings. (ARW) 55 refs.