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Sample records for structure utilizing 8-hydroxyquinoline

  1. Structure and vibrational spectroscopy investigation of 2-(4-chlorophenyliminomethyl)-8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Zhao, Bin; Wang, Yang-yang; Zhang, Yu-hua; Dai, Li; Zhou, Zheng-yu

    2011-10-01

    2-(4-Chlorophenyliminomethyl)-8-hydroxyquinoline was synthesized and crystal data was obtained in the orthorhombic space group P-1, with Z = 4. Unit cell parameters a = 4.744(7) Å, b = 9.981(15) Å, c = 27.27(4) Å and V = 12915(3) Å 3. In this paper the structural properties and vibrational frequencies of 8-hydroxyquinoline derivative, 2CP8HQ, are studied with the B3LYP and HF methods. Two stable conformers are obtained. The calculated frequencies are in good agreement with the experiment results. It is indicated that both of theoretical calculations were suitable for molecular vibrational frequencies study and the scaled B3LYP method was superior to the scaled HF methods.

  2. Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.

    PubMed

    Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan

    2015-01-01

    Using two 8-hydroxyquinolinate ligands (L1-MOM and L2-MOM) containing 3-pyridyl or 4-pyridyl groups, five novel coordination polymers, namely, [Zn3(L1)6] (1), [Zn(L1)2]·2MeOH (2), [Zn(L2)2] (3), [Cd(L2)2] (4), and [Cd4(L1)6]·13H2O (5), were synthesized and characterized by a variety of techniques. Single-crystal X-ray structures have revealed that these coordination polymers exhibit a structural diversification due to the different choices of metal salts and the effect of pyridyl nitrogen position. Compounds 1-5 exhibited different fluorescence emissions and lifetimes upon excitation in the solid state. The sensing behavior of these polymers was also investigated upon exposure to vapors of various nitroaromatic molecules (analytes). The results show that all five polymers are capable of sensing these nitroaromatic molecules in the vapor phase through fluorescence quenching. Interestingly, 3 exhibits superior sensitivity to the analytes in comparison with other polymers. 2-Nitrotoluene quenches the emission of 3 by as much as 96%. PMID:25367871

  3. Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.

    PubMed

    Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing

    2015-10-28

    Two Zn(ii) and Cd(ii) coordination polymers [ZnL2·2DMF] (1) and [CdL(OAc)] (2) were first synthesized by treating a novel 2-substituted 8-hydroxyquinolinate ligand HL involving a pyridyl group with zinc or cadmium salts. Two dicarboxylic acid ligands (H2BDC = 1,4-benzenedicarboxylic acid; H2BPDC = 4,4'-biphenyldicarboxylic acid) are employed as secondary auxiliary ligands to perform a systematic study on the structural diversities in the M(ii)-quinolinate frameworks. By introducing two dicarboxylate anions in the reaction system, four new polymers [Zn2L2(BDC)] (3), [Zn3L2I2(BPDC)·2MeOH·8H2O] (4), [Cd2L2(BDC)] (5) and [Cd2L2(BPDC)·2MeOH·4H2O] (6) were obtained. Complex 1 possesses a two-dimensional (2D) square grid containing meso-helical chains. Complex 2 is a 2D network fabricated by binuclear {Zn2} secondary building units (SBUs). Complexes 3 and 5 show a kind of 2D structure constructed by cyclic hexamers Zn6L4, which are divided into half by the coordinated BDC. In complex 4, the BPDC ligands bridge the 1D M(ii)-L chains into a 2D layered structure. Complex 6 presents an interesting 3D structure, in which the BPDC ligands link the binuclear Cd(ii) units into many meso-helical chains along the a and b axes. The diverse structures of complexes 1-6 indicate that the skeletons of dicarboxylate anions play an important role in the assembly of such different frameworks. Moreover, distinct fluorescence properties (emission wavelength and lifetime) of the complexes 1-6 were observed in the solid state. PMID:26399730

  4. Synthesis, structure, and spectral and electrochemical properties of chromium(III) tris-(8-hydroxyquinolinate).

    PubMed

    Freitas, Ana R; Silva, Mónica; Ramos, M Luísa; Justino, Licínia L G; Fonseca, Sofia M; Barsan, Madalina M; Brett, Christopher M A; Silva, M Ramos; Burrows, Hugh D

    2015-07-01

    The kinetically inert chromium(III) tris-(8-hydroxyquinolinate), Crq3, has been synthesized, crystallized from 90% methanol-water, and characterized by MALDI-TOF mass spectrometry, thermogravimetry, FTIR, NMR spectroscopy, and X-ray powder diffraction. It is formed as a methanol solvate, but the solvent can be removed by heating. Large paramagnetic shifts and spectral broadening in (1)H NMR spectra indicate electron delocalization between the metal and the ligand. DFT calculations show it is present as the meridional isomer, with the HOMO largely based on one of the metal 3d orbitals and the LUMO essentially localized on the ligands. Cyclic voltammetry (CV) in acetonitrile solutions shows four oxidation peaks and two, less intense reduction waves on the first scan. The HOMO energy determined from the first oxidation peak is fairly close to that obtained by DFT, in agreement with this being mainly metal based. Although the number of peaks decreases on subsequent CV scans, the complex shows markedly enhanced electrochemical stability compared with aluminium(III) tris-(8-hydroxyquinolinate). Solution UV/visible absorption and solid diffuse reflectance spectra have a weak, long wavelength band, assigned to the metal based d-d transition, in addition to the normal, ligand based bands seen in metal quinolates. The energy of the lowest energy band is identical to the HOMO-LUMO separation obtained by cyclic voltammetry, in agreement with the above description. The compound is only weakly luminescent, in contrast to many other metal quinolates, due to the lowest energy transition being metal rather than ligand based. The potential of this compound as an electron transporting/hole blocking layer in optoelectronic devices is indicated. PMID:26030802

  5. Synthesis, molecular structure, theoretical calculation, DNA/protein interaction and cytotoxic activity of manganese(III) complex with 8-hydroxyquinoline.

    PubMed

    Thamilarasan, V; Sengottuvelan, N; Sudha, A; Srinivasan, P; Siva, A

    2015-01-01

    Manganese(III) complex (1) [Mn(8-hq)3] (where 8-hq=8-hydroxyquinoline) has been synthesized and characterized by elemental, spectral (UV-vis, FT-IR) and thermal analysis. The structure of complex (1) has been determined by single crystal X-ray diffraction studies and the configuration around manganese(III) ion was elongated octahedral coordination geometry. Density functional theory calculations were performed for ligand and its complex. Binding studies of ligand and complex 1 with calf thymus DNA (CT-DNA) was investigated by absorption, fluorescence, circular dichroic (CD) spectroscopy and viscosity measurements. Absorption spectral studies revealed that ligand and complex 1 binds to DNA groove and its intrinsic binding strength has been found to be 2.57×10(4) and 2.91×10(4)M(-1). A molecular docking study confirm that the complex 1 is a minor groove binder and was stabilized through hydrogen bonding interactions. Complex 1 exhibits a good binding propensity to bovine serum albumin (BSA) protein. The in vitro cytotoxicity study of complex 1 on breast cancer cell line (MCF-7) indicate that it has the potential to act as effective anticancer drug, with IC50 values of 3.25μM. The ligand and its complex have been screened for antimicrobial activities and the complex showed better antimicrobial activity than the free ligand. PMID:25550122

  6. 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

    NASA Astrophysics Data System (ADS)

    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.

  7. A novel trimeric Zn (II) complex based on 8-hydroxyquinoline with trifluoromethylbenzene group: Synthesis, crystal structure, photophysical properties and DNA binding

    NASA Astrophysics Data System (ADS)

    Huo, Yanping; Wang, Chunquan; Lu, Jiguo; Hu, Sheng; Li, Xiaoyang; Zhang, Li

    2015-10-01

    A novel 2-substituted-8-hydroxyquinoline ligand (E)-2-[2-(4-trifluoromethylphenyl)ethenyl]-8-hydroxyquinoline (3, HL) was synthesized and characterized by ESI-MS, NMR spectroscopy and elemental analysis. Using solvothermal method, a trimeric complex [Zn3L6] (4) was fabricated by self-assembly of Zn(II) ions with 3. X-ray structural analysis shows that 4 exhibits a trinuclear core, which was bridged and encapsulated by six 8-hydroxyquinolinate-based ligands. The supramolecular structure of 4 features a lamellar solid constructed by aromatic stacking interactions and nonclassical C-H···F hydrogen bonds derived from 4-trifluoromethylphenyl group of the 3. The coordination behavior of zinc salt and 3 in solution was performed by 1H NMR, UV-vis and Photoluminescence (PL). The experimental results show that the complex 4 emits yellow luminescence in the solid state. To investigate its properties further, we also studied the thermal stability, photophysical properties (fluorescent emission, lifetime) of complex 4, and the interactions between 4 and C60 or EtBr-DNA system.

  8. Investigation on growth, structure and characterization of succinate salt of 8-hydroxyquinoline: an organic NLO crystal.

    PubMed

    Thirumurugan, R; Babu, B; Anitha, K; Chandrasekaran, J

    2015-04-01

    8-Hydroxyquinolinium succinate (8-HQSU) has been synthesized and single crystals were grown from ethanol solvent by employing the technique of slow evaporation at room temperature. The structure of the grown crystal has been elucidated by single crystal X-ray diffraction analysis. It reveals that 8-HQSU crystallizes in monoclinic system with non-centro symmetric space group P2(1). FTIR, 1H and 13C NMR spectral investigations have been carried out to identify the vibrational modes of various functional groups and placement of proton and carbon in the 8-HQSU compound, respectively. UV-vis-NIR transmission spectrum shows the cutoff wavelength around 357 nm. In addition, a photoluminescence spectral analysis was carried out for 8-HQSU crystals. The thermal properties of crystals were evaluated from TGA and DTA techniques and the crystal was found to be stable up to 145°C. The dielectric studies show that the dielectric constant and dielectric loss decrease exponentially with frequency at different temperatures. Photoconductivity studies were carried out on the grown crystals it reveals the positive photo conducting nature. Powder second harmonic generation property of the crystal was confirmed by Kurtz and Perry powder SHG technique and it is found to be 1.3 times greater than that of KDP. PMID:25589396

  9. Investigation on growth, structure and characterization of succinate salt of 8-hydroxyquinoline: An organic NLO crystal

    NASA Astrophysics Data System (ADS)

    Thirumurugan, R.; Babu, B.; Anitha, K.; Chandrasekaran, J.

    2015-04-01

    8-Hydroxyquinolinium succinate (8-HQSU) has been synthesized and single crystals were grown from ethanol solvent by employing the technique of slow evaporation at room temperature. The structure of the grown crystal has been elucidated by single crystal X-ray diffraction analysis. It reveals that 8-HQSU crystallizes in monoclinic system with non-centro symmetric space group P21. FTIR, 1H and 13C NMR spectral investigations have been carried out to identify the vibrational modes of various functional groups and placement of proton and carbon in the 8-HQSU compound, respectively. UV-vis-NIR transmission spectrum shows the cutoff wavelength around 357 nm. In addition, a photoluminescence spectral analysis was carried out for 8-HQSU crystals. The thermal properties of crystals were evaluated from TGA and DTA techniques and the crystal was found to be stable up to 145 °C. The dielectric studies show that the dielectric constant and dielectric loss decrease exponentially with frequency at different temperatures. Photoconductivity studies were carried out on the grown crystals it reveals the positive photo conducting nature. Powder second harmonic generation property of the crystal was confirmed by Kurtz and Perry powder SHG technique and it is found to be 1.3 times greater than that of KDP.

  10. Structural, electronic, and magnetic properties of tris(8-hydroxyquinoline)iron(III) molecules and their magnetic coupling with ferromagnetic surface: first-principles study.

    PubMed

    Jiang, W; Zhou, M; Liu, Z; Sun, D; Vardeny, Z V; Liu, F

    2016-05-01

    Using first-principles calculations, we have systematically investigated the structural, electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris(8-hydroxyquinoline)iron(III) (Feq3) molecules and their interaction with ferromagnetic substrate. Our calculation results show that for the isolated Feq3, mer-Feq3 is more stable than the fac-Feq3; both Feq3 isomers have a high spin-state of 5 μ B as the ground state when an on-site Hubbard-U term is included to treat the highly localized Fe 3d electrons; while the standard DFT calculations produce a low spin-state of 1 μ B for mer-Feq3. These magnetic behaviors can be understood by the octahedral ligand field splitting theory. Furthermore, we found that fac-Feq3 has a stronger bonding to the Co surface than mer-Feq3 and an anti-ferromagnetic coupling was discovered between Fe and Co substrate, originating from the superexchange coupling between Fe and Co mediated by the interface oxygen and nitrogen atoms. These findings suggest that Feq3 molecular films may serve as a promising spin-filter material in spintronic devices. PMID:27044670

  11. Structural, electronic, and magnetic properties of tris(8-hydroxyquinoline)iron(III) molecules and their magnetic coupling with ferromagnetic surface: first-principles study

    NASA Astrophysics Data System (ADS)

    Jiang, W.; Zhou, M.; Liu, Z.; Sun, D.; Vardeny, Z. V.; Liu, F.

    2016-05-01

    Using first-principles calculations, we have systematically investigated the structural, electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris(8-hydroxyquinoline)iron(III) (Feq3) molecules and their interaction with ferromagnetic substrate. Our calculation results show that for the isolated Feq3, mer-Feq3 is more stable than the fac-Feq3; both Feq3 isomers have a high spin-state of 5 μ B as the ground state when an on-site Hubbard-U term is included to treat the highly localized Fe 3d electrons; while the standard DFT calculations produce a low spin-state of 1 μ B for mer-Feq3. These magnetic behaviors can be understood by the octahedral ligand field splitting theory. Furthermore, we found that fac-Feq3 has a stronger bonding to the Co surface than mer-Feq3 and an anti-ferromagnetic coupling was discovered between Fe and Co substrate, originating from the superexchange coupling between Fe and Co mediated by the interface oxygen and nitrogen atoms. These findings suggest that Feq3 molecular films may serve as a promising spin-filter material in spintronic devices.

  12. Photoemission study of tris(8-hydroxyquinoline) aluminum/aluminum oxide/tris(8-hydroxyquinoline) aluminum interface

    SciTech Connect

    Ding Huanjun; Zorba, Serkan; Gao Yongli; Ma Liping; Yang Yang

    2006-12-01

    The evolution of the interface electronic structure of a sandwich structure involving aluminum oxide and tris(8-hydroxyquinoline) aluminum (Alq), i.e. (Alq/AlO{sub x}/Alq), has been investigated with photoemission spectroscopy. Strong chemical reactions have been observed due to aluminum deposition onto the Alq substrate. The subsequent oxygen exposure releases some of the Alq molecules from the interaction with aluminum. Finally, the deposition of the top Alq layer leads to an asymmetry in the electronic energy level alignment with respect to the AlO{sub x} interlayer.

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

    PubMed

    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. PMID:25044340

  14. Investigating the activity spectrum for ring-substituted 8-hydroxyquinolines.

    PubMed

    Musiol, Robert; Jampilek, Josef; Nycz, Jacek E; Pesko, Matus; Carroll, James; Kralova, Katarina; Vejsova, Marcela; O'Mahony, Jim; Coffey, Aidan; Mrozek, Anna; Polanski, Jaroslaw

    2010-01-01

    In this study, a series of fourteen ring-substituted 8-hydroxyquinoline derivatives were prepared. The synthesis procedures are presented. The compounds were analyzed using RP-HPLC to determine lipophilicity. They were tested for their activity related to inhibition of photosynthetic electron transport (PET) in spinach (Spinacia oleracea L.) chloroplasts. Primary in vitro screening of the synthesized compounds was also performed against four mycobacterial strains and against eight fungal strains. Several compounds showed biological activity comparable with or higher than the standards isoniazid or fluconazole. For all the compounds, the relationships between the lipophilicity and the chemical structure of the studied compounds are discussed. PMID:20110891

  15. Gelation Behavior of 5-Chloro-8-hydroxyquinoline, an Antituberculosis Agent in Aqueous Alcohol Solutions

    PubMed Central

    Kolehmainen, Erkki; Salo, Hannu; Korpela, Jukka

    2012-01-01

    It was shown that 5-chloro-8-hydroxyquinoline, an antituberculosis agent, gels aqueous alcohol solutions efficiently. Thermal stability and gel-to-sol transition temperature of 1% gel in CD3OD/D2O (2:1) was studied by 1H-NMR. Fibrous structures of four xerogels have been characterized by scanning electron microscope. PMID:27029417

  16. Oxocomplexes of Mo(VI) and W(VI) with 8-hydroxyquinoline-5-sulfonate in solution: structural studies and the effect of the metal ion on the photophysical behaviour.

    PubMed

    Ramos, M Luísa; Justino, Licínia L G; Abreu, Paulo E; Fonseca, Sofia M; Burrows, Hugh D

    2015-11-28

    Multinuclear ((1)H, (13)C, (95)Mo and (183)W) NMR spectroscopy, combined with DFT calculations, provides detailed information on the complexation between the Mo(VI) and W(VI) oxoions and 8-hydroxyquinoline-5-sulfonate (8-HQS) in aqueous solution. Over the concentration region studied, Mo(VI) and W(VI) oxoions form three homologous complexes with 8-HQS in water in the pH range 2-8. Two of these, detected at pH < 6, are mononuclear 1 : 2 (metal : ligand) isomers, with the metal centre (MO2(2+)) coordinated to two 8-HQS ligands. An additional complex, dominant at slightly higher pH values (5-8) for solutions with a 1 : 1 metal : ligand molar ratio, has a binuclear M2O5(2+) centre coordinated to two 8-HQS ligands. The two metal atoms are bridged by three oxygen atoms, two coming from 8-HQS, together with the M-O-M bridge of the bimetallic centre. We show that the long-range exchange corrected BOP functional with local response dispersion (LCBOPLRD), together with explicit solvent molecules, leads to geometries that readily converge to equilibrium structures having realistic bridging O8-HQS-M bonds. Previous attempts to calculate the structures of such binuclear complexes using DFT with the B3LYP functional have failed due to difficulties in treating the weak interaction in these bridged structures. We believe that the LCBOPLRD method may be of more general application in theoretical studies in related binuclear metal complexes. UV/visible absorption and luminescence spectra of all the complexes have also been recorded. The complex between Mo(vi) and 8-HQS is only weakly luminescent, in contrast to what has been observed with this ligand and many other metal ions. We suggest that this is due to the presence of low-lying ligand-to-metal charge transfer (LMCT) states close to the emitting ligand-based level which quench the emission. However, with W(VI), DFT calculations show that the LMCT states are now much higher in energy than the ligand based levels, leading to a marked increase in fluorescence. PMID:26498366

  17. The design of 8-hydroxyquinoline tetracyclic lactams as HIV-1 integrase strand transfer inhibitors.

    PubMed

    Velthuisen, Emile J; Johns, Brian A; Temelkoff, David P; Brown, Kevin W; Danehower, Susan C

    2016-07-19

    A novel series of HIV-1 integrase strand transfer inhibitors were designed using the venerable two-metal binding pharmacophore model and incorporating structural elements from two different literature scaffolds. This manuscript describes a number of 8-hydroxyquinoline tetracyclic lactams with exceptional antiviral activity against HIV-1 and little loss of potency against the IN signature resistance mutations Q148K and G140S/Q148H. PMID:27092410

  18. New approach to synthesize 8-hydroxyquinoline-based complexes with Zn2+ and their luminescent properties

    NASA Astrophysics Data System (ADS)

    Wang, Ruifang; Cao, Yali; Jia, Dianzeng; Liu, Lang; Li, Fang

    2013-12-01

    In this paper, zinc(II) bis-(8-hydroxyquinoline) dihydrate (ZnQ2·2H2O) and zinc(II) bis-(2-methyl-8-hydroxyquinoline) monohydrate (Zn(MQ)2·H2O) were successfully prepared by a room-temperature solid-state chemical reaction using zinc acetate (Zn(CH3COO)2·2H2O), 8-hydroxyquinoline (HQ) and 2-methyl-8-hydroxyquinoline (2-methyl-8-HQ) as the starting materials. The results of X-ray diffraction (XRD), fourier transform infrared spectroscopy (FTIR) and thermal analysis (TG/DSC) demonstrated that the chemical composition of the products were ZnQ2·2H2O and Zn(MQ)2·H2O. The scanning electron microscopy (SEM) images and the transmission electron microscopy (TEM) images showed that the products ZnQ2·2H2O and Zn(MQ)2·H2O had sheet-like morphology with a thickness of about 50 nm. The UV-vis absorption spectra of ZnQ2·2H2O and Zn(MQ)2·H2O indicated that they existed charge transfer from the metal to the ligand (MLCT bands). The room-temperature photoluminescence (PL) spectra of ZnQ2·2H2O revealed that the sample possessed largely blue shift compared with the previous reports. Besides, the two complexes presented a consistent decline situation along with the decline concentration in chloroform solution, which due to solvate effect and structural similarity. The fluorescence quantum yields were measured at 36.58% and 0.07%, and the emission colors were blue-green and light-blue, respectively. The fluorescence quantum yield of ZnQ2·2H2O was higher than some reported similar structure. The method was believed to largely facilitate the fabrication and application of organometallic complex nanomaterials.

  19. Influence of Zn-Cd substitution: Spectroscopic and theoretical investigation of 8-hydroxyquinoline complexes

    NASA Astrophysics Data System (ADS)

    Ramalho, Teodorico C.; Martins, Tales L. C.; Borges, Luiz E. Pizarro; de Pinho, Marcos Henrique; de Avillez, Roberto Ribeiro; da Cunha, Elaine F. F.

    2009-05-01

    It is now well known that zinc is crucial for the synthesis of nucleic acids and, consequently, for cellular division. However, 67Zn, the NMR-detectable isotope, is one of the isotopes most poorly studied by NMR. The strategy used for NMR studies is the substitution of Zn by 113Cd. In this work, we employed 13C, 113Cd NMR (CPMAS), X-ray and DFT calculation in order to evaluate the Zn-Cd substitution using 8-hydroxyquinoline like prototype compound. Our results show that there are strong structural and electronics effects are involved in the substitution.

  20. Pyrithione and 8-hydroxyquinolines transport lead across erythrocyte membranes.

    PubMed

    Lind, Stuart E; Park, Jong Sung; Drexler, John W

    2009-09-01

    Acute and chronic lead poisoning remains a significant health problem. Although chelating agents can bind to plasma lead, they cannot cross cell membranes where the total body lead burden resides, and are thus inefficient at reducing the total body lead burden. Recently, calcium and sodium ionophores have been shown to transport lead across cell membranes providing a novel method for reducing total body lead stores. We recently found that clioquinol, an 8-hydroxyquinoline derivative, can act as a zinc ionophore. We postulated that zinc ionophores might also be able to transport lead across biological membranes. To study this, we loaded lead in vitro into human erythrocytes and then studied the ability of zinc ionophores to transport lead into the extracellular space, where it was trapped with a lead chelator. Using inductively coupled plasma mass spectrometry (ICP-MS), we found that several 8-hydroxyquinoline derivatives, as well as the zinc and sodium salts of pyrithione (N-hydroxypyridine-2-thione), reduced erythrocyte lead content. The water-soluble compound, sodium pyrithione, was able to reduce lead in citrated whole blood, without partitioning into the erythrocytes. These results indicate that two classes of zinc ionophores can transport lead across a biological membrane, and they confirm that these ionophores are not cation-specific. Lead ionophores may prove useful in mobilizing lead into the extracellular space, thereby improving the efficacy of chelation therapy, in vivo or ex vivo. PMID:19665691

  1. Experimental and theoretical study of o-substituent effect on the fluorescence of 8-hydroxyquinoline.

    PubMed

    Zayed, Mohie E M; El-Shishtawy, Reda M; Elroby, Shaaban A; Obaid, Abdullah Y; Al-amshany, Zahra M

    2015-01-01

    The synthesis and characterization of different ether and ester derivatives of 8-hydroxyquinoline have been made. UV-visible and fluorescence spectra of these compounds have revealed spectral dependence on both solvent and O-substituent. The fluorescence intensity of ether derivatives revealed higher intensity for 8-octyloxyquinoline compared with 8-methoxyquinoline, whereas those of ester derivatives had less fluorescence than 8-hydroxyquinoline. Theoretical calculations based on Time-dependent density functional theory (TD-DFT) were carried out for the quinolin-8-yl benzoate (8-OateQ) compound to understand the effect of O-substituent on the electronic absorption of 8-hydroxyquinaline (8-HQ). The calculations revealed comparable results with those obtained from the experimental data. Optimized geometrical structure was calculated with DFT at B3LYP/6-311++G** level of theory. The results indicated that 8-OateQ is not a coplanar structure. The absorption spectra of the compound were computed in gas-phase and solvent using B3LYP and CAM-B3LYP methods with 6-311++G ** basis set. The agreement between calculated and experimental wavelengths was very good at CAM-B3LYP/6-311++G** level of theory. PMID:25674853

  2. Experimental and Theoretical Study of O-Substituent Effect on the Fluorescence of 8-Hydroxyquinoline

    PubMed Central

    Zayed, Mohie E. M.; El-Shishtawy, Reda M.; Elroby, Shaaban A.; Obaid, Abdullah Y.; Al-amshany, Zahra M.

    2015-01-01

    The synthesis and characterization of different ether and ester derivatives of 8-hydroxyquinoline have been made. UV-visible and fluorescence spectra of these compounds have revealed spectral dependence on both solvent and O-substituent. The fluorescence intensity of ether derivatives revealed higher intensity for 8-octyloxyquinoline compared with 8-methoxyquinoline, whereas those of ester derivatives had less fluorescence than 8-hydroxyquinoline. Theoretical calculations based on Time-dependent density functional theory (TD-DFT) were carried out for the quinolin-8-yl benzoate(8-OateQ) compound to understand the effect of O-substituent on the electronic absorption of 8-hydroxyquinaline (8-HQ). The calculations revealed comparable results with those obtained from the experimental data. Optimized geometrical structure was calculated with DFT at B3LYP/6-311++G** level of theory. The results indicated that 8-OateQ is not a coplanar structure. The absorption spectra of the compound were computed in gas-phase and solvent using B3LYP and CAM-B3LYP methods with 6-311++G ** basis set. The agreement between calculated and experimental wavelengths was very good at CAM-B3LYP/6-311++G** level of theory. PMID:25674853

  3. Re-condensation and decomposition of Tris(8-hydroxyquinoline)-aluminum in a vapor transport ampoule

    NASA Astrophysics Data System (ADS)

    Kao, Fan-Hsuan; Lin, Ku-Yen; Jan, Da-Jeng; Tang, Shiow-Jing; Yang, Chun-Chuen; Lin, Chia-Her; Yeh, Jui-Ming; Chiu, Kuan-Cheng

    2012-10-01

    By choosing various crystalline forms of tris(8-hydroxyquinoline)-aluminum (Alq3) source powders and using different transport gases under various inside-pressures pin, two constitutional supersaturation (CSS) zones were observed in a vapor transport ampoule with a source temperature of 300 °C and a growth period of 5.0 h. From UV-visible spectra, the material in the lower CSS zone (with sidewall temperature Tside≅130-270 °C) was the re-condensed Alq3, while that in the upper zone (Tside around room temperature) was the decomposed 8-hydroxyquinoline (8Hq). With increasing pin from 1.3×102 to 9.3×104 Pa, the decomposition of Alq3 into 8Hq was enhanced, and the deposition of 8Hq CSS zone became apparent with the formation of several 8Hq needle crystals. In addition, a dependence of the crystal structure formed in the Alq3 CSS zone on the initial phase of the source powder was observed and discussed.

  4. [Spasmolytic and anti-inflammatory activity of 8-hydroxyquinolines].

    PubMed

    Zaks, A S; Zil'ber, A L; Kapitonenko, T A

    1984-01-01

    It has been shown that quinozole (aqueous solution), enteroseptol and nitroxoline (suspension with Tween-80) in a concentration of 0.2 X 10(-6)-1.10(-5) decrease the tone of the rat and guinea-pig ileum and diminish their peristalsis. When administered in the same concentrations quinozole removes or prevents the spasmogenic effects of barium chloride (1 X 10(-5)-4.10(-5), of histamine (2 X 10(-5) and -6) but not of acetylcholine (1 X 10(-6)). When administered orally in a dose 50 mg/kg to rats enteroseptol and nitroxoline inhibit the serotonin-, agar- and carrageenin-induced edemas of the rat paws without changing the response to subplantar injection of histamine. The data obtained should be taken into consideration during the use of 8-hydroxyquinolines as antimicrobial substances. PMID:6238840

  5. Polynorbornene derived 8-hydroxyquinoline paper strips for ultrasensitive chemical nerve agent surrogate sensing.

    PubMed

    Sarkar, Santu; Shunmugam, Raja

    2014-08-11

    The detection of nerve agent simulants is achieved by the photoinduced electron transfer (PET) mechanism. A "turn-on" fluorescence response upon phosphorylation at 8-hydroxyquinoline of norbornene-based triazolyl functionalized 8-hydroxyquinoline () followed by intramolecular rearrangement provides very intense green emission. The detection limit of polymer () coated paper strips is 25 ppb with instantaneous response. PMID:24948420

  6. Mixed ligands 8-hydroxyquinoline aluminum complex with high electron mobility for organic light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Xu, Bingshe; Chen, Liuqing; Liu, Xuguang; Zhou, Hefeng; Xu, Huixia; Fang, Xiaohong; Wang, Yanli

    2008-03-01

    A mixed ligands 8-hydroxyquinoline complex (Alq2A) with improved electron mobility was designed for organic light-emitting diodes. The electron mobility in Alq2A was determined via transient electroluminescence (EL) from bilayer devices with structure of indium tin oxide/4,4'-bis[N-(1-naphthyl)-N-Phenyl amino]biphenyl/Alq2A /LiF/Al. It was found that the electron mobility in Alq2A is between (2.7and4.4)×10-6cm2/Vs at electric fields ranging between 1.42×106 and 2.40×106V /cm, which is higher than that in Alq3. The Alq2A also shows a higher EL efficiency in steady-state EL studies, which is considered to be derived from (1) improved electron mobility, (2) high fluorescene efficiency, and (3) good film-forming.

  7. Porous silicon optical microcavity for chemical sensing application using tris-(8-hydroxyquinoline) aluminum (Alq3)

    NASA Astrophysics Data System (ADS)

    Bardaoui, A.; Bchir, R.; Hamzaoui, H.; Chtourou, R.

    2010-09-01

    The present paper reports the study of a porous silicon based microcavity for a potential chemical sensing application using tris-(8-hydroxyquinoline) aluminum (Alq3) molecules. Porous silicon based planar microcavity was first designed and fabricated using the electrochemical etching technique. Photoluminescence emission of a single porous silicon layer after immersion in an Alq3 solution was first carried out in order to verify that the Alq3 molecules were bound to the porous surface. A wide green band centered at 519 nm, typical of a nano-structured Alq3 film, was observed. Reflectivity measurements of the porous silicon microcavity were then performed for different aluminum concentrations of the Alq3 solution. The microcavity device showed a good sensibility for the Alq3 molecules and an important shift of the microcavity photonic resonance was observed. This device might be considered for a potential aluminiun sensing application.

  8. Design and synthesis of 8-hydroxyquinoline-based radioprotective agents.

    PubMed

    Ariyasu, Shinya; Sawa, Akiko; Morita, Akinori; Hanaya, Kengo; Hoshi, Misato; Takahashi, Ippei; Wang, Bing; Aoki, Shin

    2014-08-01

    In radiation therapy, adverse side effects are often induced due to the excessive cell death that occurs in radiosensitive normal cells. The radiation-induced cell death of normal cells is caused, at least in part, by apoptosis, which undergoes via activation of p53 and increase in the p53 protein, a zinc-containing transcriptional factor, in response to cellular damage. Therefore, radioprotective drugs that can protect normal cells from radiation and thus suppress adverse side effects would be highly desirable. We report herein on the radioprotective activity of 8-hydroxyquinoline (8HQ) derivatives that were initially designed so as to interact with the Zn(2+) in p53. Indeed, the 5,7-bis(methylaminosulfonyl)-8HQ and 8-methoxyquinoline derivatives considerably protected MOLT-4 cells against γ-ray radiation (10 Gy), accompanied by a low cytotoxicity. However, mechanistic studies revealed that the interaction of these drugs with p53 is weak and the mechanism for inhibiting apoptosis appears to be different from that of previously reported radioprotectors such as bispicen, which inhibits apoptosis via the denaturation of p53 as well as by blocking both transcription-dependent and -independent apoptotic pathways. PMID:25002230

  9. Hole transporting properties of tris(8-hydroxyquinoline) aluminum (Alq3)

    NASA Astrophysics Data System (ADS)

    Fong, H. H.; So, S. K.

    2006-11-01

    The hole transporting properties of tris (8-hydroxyquinoline) aluminum (Alq3) were investigated by time-of-flight (TOF) technique between 278 and 373K, and under an applied field range of 0.6-1.3MV/cm. At room temperature, the hole mobility has a value between 10-9 and 10-8cm2V-1s-1. The hole mobility is at least two orders of magnitude less than electron under identical preparation and measurement conditions. Generally, all hole TOF transients of Alq3 exhibit a nondispersive behavior, with a clear plateau region and a dispersion tail. Two disorder transport models, namely, the Gaussian disorder model (GDM) and the correlated disorder model (CDM), were applied to analyze the temperature and field dependent hole mobility data. The GDM, however, is found to be invalid because it fails to produce a meaningful positional disorder parameter. The CDM gives a better fit to the data, yet the model is still not satisfactory.

  10. Bipolar resistive switching based on bis(8-hydroxyquinoline) cadmium complex: Mechanism and non-volatile memory application

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Yang, Ting; Xie, Ji-Peng; Lü, Wen-Li; Fan, Guo-Ying; Liu, Su

    2013-07-01

    Stable and persistent bipolar resistive switching was observed in an organic diode with the structure of indium-tin oxide (ITO)/bis(8-hydroxyquinoline) cadmium (Cdq2)/Al. Aggregate formation and electric field driven trapping and de-trapping of charge carriers in the aggregate states that lie in the energy gap of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the organic molecule were proposed as the mechanism of the observed bipolar resistive switching, and this was solidly supported by the results of AFM investigations. Repeatedly set, read, and reset measurements demonstrated that the device is potentially applicable in non-volatile memories.

  11. Formation of stacked luminescent complex of 8-hydroxyquinoline molecules on hydroxyapatite coating by using cold isostatic pressing.

    PubMed

    Matsuya, Takehiko; Otsuka, Yuichi; Tagaya, Motohiro; Motozuka, Satoshi; Ohnuma, Kiyoshi; Mutoh, Yoshiharu

    2016-01-01

    Cold isostatic pressing successfully formed a chelate complex of 8-hydroxyquinoline (8 Hq) molecules on plasma-sprayed hydroxyapatite (HAp) coating by solid-state reaction. The complex emits a fluorescence peak at approximately 500 nm by UV irradiation. The red shift of the fluorescence was newly observed in the cases of highly compressed complex due to π - π stacking of aromatic ring in the molecular structure of 8 Hq. The immersed complex coating in Simulated Body Fluid (SBF) demonstrated amorphous apatite precipitation and kept its fluorescence property. PMID:26478295

  12. Synthesis and characterization of ?-cyclodextrin inclusion complex containing di(8-hydroxyquinoline)magnesium

    NASA Astrophysics Data System (ADS)

    He, Jiang; Deng, Li; Yang, Shanshan

    2008-09-01

    The ?-cyclodextrin (?-CD) inclusion complex containing di(8-hydroxyquinoline)magnesium was prepared. The product was characterized by NMR, IR, differential thermal thermogravimetric analysis (DT-TGA), spectrofluorimetry, and elemental analysis, indicating the formation of inclusion complex in which the quinoline rings of the guest were encapsulated within the ?-CD cavities. The Job's method provided 2:1 stoichiometry for the inclusion complex between ?-CD and di(8-hydroxyquinoline)magnesium. The association constant calculated with the modified Benesi-Hildebrand equation at 25 C was determined. And the mean association constant was 3577 (L/mol) 2, R.S.D. was 2.58%. The thermal stability and solubility of di(8-hydroxyquinoline)magnesium were improved when forming inclusion complex.

  13. Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.

    PubMed

    Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling

    2016-02-16

    Seven dinuclear complexes based on 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands, [RE2(hfac)4L2] (RE = Y (), Gd (), Tb (), Dy (), Ho (), Er () and Lu (); hfac(-) = hexafluoroacetylacetonate; HL = 2-[(4-chloro-phenylimino)-methyl]-8-hydroxyquinoline), have been synthesized, and structurally and magnetically characterized. Complexes have similar dinuclear structures, in which each RE(III) ion is eight coordinated by two L(-) and two hfac(-) ligands in a distorted dodecahedron geometry. The luminescence spectra indicate that complex exhibits characteristic Tb(III) ion luminescence, while and show HL ligand luminescence. The magnetic studies reveal that features a magnetocaloric effect with the magnetic entropy change of -ΔSm = 16.83 J kg(-1) K(-1) at 2 K for ΔH = 8 T, and displays slow magnetic relaxation behavior with the anisotropic barrier of 6.7 K and pre-exponential factor τ0 = 5.3 × 10(-6) s. PMID:26792239

  14. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.

    PubMed

    Arjunan, V; Mohan, S; Ravindran, P; Mythili, C V

    2009-05-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 7-bromo-5-chloro-8-hydroxyquinoline (BCHQ) have been measured in the range 4000-400 and 4000-100cm(-1), respectively. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constrains using the DFT/B3LYP and HF methods with 6-31G** basis set. The vibrational frequencies which were determined experimentally are compared with those obtained theoretically from ab initio HF and density functional theory (DFT) gradient calculations employing the HF/6-31G** and B3LYP/6-31G** methods for the optimised geometry of the compound. The structural parameters and normal modes of vibration obtained from HF and DFT methods are in good agreement with the experimental data. Normal coordinate analysis was also carried out with ab initio force fields utilising Wilson's FG matrix method. PMID:19112045

  15. Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum films.

    PubMed

    Meloni, Simone; Palma, Amedeo; Schwartz, Jeffrey; Kahn, Antoine; Car, Roberto

    2003-07-01

    Metal organic contacts are at the basis of devices such as organic light emitting diodes (OLEDs). Here, we report a theoretical investigation of the chemical interaction between a Mg atom and an organic film made of tris(8-hydroxyquinoline)aluminum (Alq3) molecules. The latter is modeled either by an isolated molecule or by a bulk crystal. Using first-principles molecular dynamics for structural optimization, we find that an isolated Alq3 molecule and a Mg atom form an ion-pair. However, when the metal atom interacts with molecules in a bulk crystalline environment, we find that an organometallic complex is energetically preferred over the ion-pair. The complex formation is an effect of the environment which makes possible the interaction of the metal atom with several adjacent molecules. Here, our calculated O(1s) and N(1s) core level shifts agree well with recent experimental data on Alq3 films exposed to Mg. Our results resolve the apparent contradiction between experiment and predictions made in previous calculations in which a single Alq3 molecule was used to model a thin film. PMID:12822992

  16. Synthesis, characterization and DFT calculation of 4-fluorophenyl substituted tris(8-hydroxyquinoline)aluminum(III) complexes

    NASA Astrophysics Data System (ADS)

    Suliman, FakhrEldin O.; Al-Nafai, Isehaq; Al-Busafi, Saleh N.

    2014-01-01

    New 4-fluorophenyl substituted 8-hydroxyquinoline derivatives, 5-(4-fluorophenyl)quinolin-8-ol and 5,7-bis(4-fluorophenyl)quinolin-8-ol, were synthesized and characterized by spectroscopic methods. The aluminum complexes of 5-(4-fluorophenyl)quinolin-8-ol (AlQF) and of 5,7-bis(4-fluorophenyl)quinolin-8-ol (AlQF2) exhibit strong fluorescence emission centered at 525 nm and 530 nm respectively. The quantum yield of both complexes were enhanced compared to the parent tris(8-hydroxyquinolinato)aluminum(III) complex. Electronic structures and photophysical properties of the new complexes were investigated theoretically by ab initio and density functional theory (DFT) and time dependent DFT (TD-DFT). Geometries of the ground state (S0) and the first excited state (S1) of the new complexes were optimized at the B3LYP/6-31G(d) functional and configuration interaction singles (CIS) method respectively. The aryl substituents were found to contribute significantly to the frontier molecular orbitals (FMOs). We have observed that in both cases the lowest occupied molecular orbital (LUMO) energy decreases while the energy of the highest occupied molecular orbital is slightly increased. The most significant increase was observed for AlQF2.

  17. Ring-substituted 8-hydroxyquinoline-2-carboxanilides as potential antimycobacterial agents.

    PubMed

    Kos, Jiri; Zadrazilova, Iveta; Nevin, Eoghan; Soral, Michal; Gonec, Tomas; Kollar, Peter; Oravec, Michal; Coffey, Aidan; O'Mahony, Jim; Liptaj, Tibor; Kralova, Katarina; Jampilek, Josef

    2015-08-01

    In this study, a series of twenty-two ring-substituted 8-hydroxyquinoline-2-carboxanilides was prepared and characterized. Primary in vitro screening of the synthesized compounds was performed against Mycobacterium tuberculosis H37Ra, Mycobacterium avium complex and M. avium subsp. paratuberculosis. Some of the tested compounds showed the antimycobacterial activity against M. avium subsp. paratuberculosis comparable with or higher than that of rifampicin. 8-Hydroxy-N-[3-(trifluoromethyl)phenyl]- and 8-hydroxy-N-[4-(trifluoromethyl)phenyl]quinoline-2-carboxamide showed MIC=24 μM against all tested mycobacterial strains. 3-Methoxyphenyl- and 3-methylphenyl derivatives expressed MIC=27 or 29 μM also against all the tested strains. Their activity against M. avium subsp. paratuberculosis was 4-fold higher than that of rifampicin. 2-Bromophenyl- and 2-(trifluoromethyl)phenyl derivatives had MIC=23 or 24 μM against M. tuberculosis. A significant decrease of mycobacterial cell metabolism (viability of M. tuberculosis H37Ra) was observed using MTT assay. Screening of cytotoxicity of the compounds was performed using the THP-1 cells, and no significant lethal effect was observed up to tested concentration 30 μM. The structure-activity relationships are discussed. PMID:26183541

  18. Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.

    PubMed

    Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin

    2015-11-16

    New dinuclear lanthanide(III) complexes based on an 8-hydroxyquinoline Schiff base derivative and β-diketonate ligands, [Ln2(hfac)4(L)2] (Ln(III) = Gd (1), Tb (2), Dy (3), Ho (4), Er (5)), [Ln2(tfac)4(L)2] (Ln(III) = Gd (6), Tb (7), Dy (8), Ho (9)), and [Dy(bfac)4(L)2·C7H16] (10) (L = 2-[[(4-fluorophenyl)imino] methyl]-8-hydroxyquinoline, hfac = hexafluoroacetylacetonate, tfac = trifluoroacetylacetonate, and bfac = benzoyltrifluoroacetone), have been synthesized. The single-crystal X-ray diffraction data show that complexes 1-10 are phenoxo-O-bridged dinuclear complexes; each eight-coordinated center Ln(III) ion is in a slightly distorted dodecahedral geometry with two bidentate β-diketonate coligands and two μ2-O bridging 8-hydroxyquinoline Schiff base derivative ligands. The magnetic study reveals that 1 and 6 display cryogenic magnetic refrigeration properties, whereas complexes 3, 8, and 10 show different SMM behaviors with energy barriers of 6.77 K for 3, 19.83 K for 8, and 25.65 K for 10. Meanwhile, slow magnetic relaxation was observed in 7, while no out-of-phase alternating-current signals were found for 2. The different dynamic magnetic behaviors of two Tb2 complexes and the three Dy2 complexes mainly derive from the tiny crystal structure changes around the Ln(III) ions. It is also proved that the β-diketonate coligands can play an important role in modulating magnetic dynamics of the lanthanide 8-hydroxyquinoline Schiff base derivative system. PMID:26516660

  19. Theoretical Studies on the Ground State and Excited State of 2,7'-(Ethylene)-bis-8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Li, Hui-xue; Pan, Su-juan; Wang, Xiao-feng; Xiao, Tai

    2008-06-01

    2,7'-(Ethylene)-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ionization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-DFT. CIS method was used to calculate the S1 excited states of the compound and afterwards the emission spectrum was computed. When the solvent effect was taken into account, the computed results show encouraging agreement with known experimental data. The results of analyzing the relationship between the energies and absorption spectra indicate that the ability to transporting electrons is strengthened compared with 8-hydroxyquinoline and that absorption and emission spectra are red-shifted. The intramolecular reorganization energy of tris(2,7'-(ethylene)-bis-8-hydroxyquinoline)-aluminum implies its electron transporting property is worse than tris(8-hydroxyquinoline)-aluminum. The predicted maximum emission wavelength is red-shifted compared with tris(8-hydroxyquinoline)-aluminum.

  20. Effects of 2-amino-8-hydroxyquinoline interaction on the conformation of physiological isomers of human serum albumin.

    PubMed

    Shiriskar, Sonali M; Agarwal, Neeraj; Pissurlenkar, Raghuvir R S; Ahmad, Basir

    2015-05-01

    The methods of synthetic chemistry create small molecules rapidly for screening, and ligand-protein interaction studies provide information on how a potential drug interacts with target or carrier proteins such as serum albumin. In this work, we investigate the interaction of amino derivative of 8-hydroxyquinoline, 2-amino-8-hydroxyquinoline (A8HQ), and the effects of its binding on the conformation of different isomers of human serum albumin (HSA) using multispectroscopic techniques and molecular modeling. We found that B isomer, which exists at pH 9, bound A8HQ (K a = 1.92 ± 0.07 × 10(5) M(-1) at 298 K) more strongly as compared with N isomer (K a = 1.19 ± 0.04 × 10(5) M(-1) at 298 K) of HSA, which is known to exist around pH 6. The binding constant at physiological pH (7.4) was also determined, and the value (K a = 1.38 ± 0.05 × 10(5) M(-1) at 298 K) was found to fall between those for N and B isomers, suggesting that both the N and B isomers exist in an equilibrium in plasma. We also determined the thermodynamic parameters such as changes in enthalpy, entropy , and free energy of binding by measuring the binding at four different temperatures. Based on molecular modeling and thermodynamic studies, we propound that the A8HQ-HSA binding involves mainly hydrophobic interactions and hydrogen bonding. Site-specific marker displacement experiments and molecular modeling showed that the molecule preferably binds in subdomain IIA close to Trp214. A8HQ binding to HSA isomers was found to cause both secondary and tertiary structural alterations in the protein. PMID:25761396

  1. Design, synthesis, anti-schistosomal activity and molecular docking of novel 8-hydroxyquinoline-5-sufonyl 1,4-diazepine derivatives.

    PubMed

    Eweas, Ahmad F; Allam, Gamal; Abuelsaad, Abdelaziz S A; ALGhamdi, Abdul Hamid; Maghrabi, Ibrahim A

    2013-02-01

    Schistosomiasis remains one of the most prevalent parasitic infections and has significant public health consequences. Praziquantel (PZQ) is the only drug currently administrated to treat this disease. However, praziquantel-resistant parasites have been identified in endemic areas and can be generated in the laboratory. Therefore, it is essential to find new therapeutics. Herein we report a series of novel 8-hydroxyquinoline-5-sufonyl 1,4-diazepine derivatives, which were synthesized, characterized and tested as anti-schistosomal agents in vitro. Among all tested compounds, compounds 4a, 5b, and 7b at different tested concentrations (50, 100, and 200 ?g/mL) showed the highest schistosomicidal activity. Among those 3 compounds, compound 7b was the most potent anti-schistosomal one. Moreover, all tested compound, at 50 ?g/mL concentration, significantly reduced oviposition of adult worms in vitro. Furthermore, both compound 4a and 7b, as well as compound 6a, completely diminished egg deposition. To clarify the possible mechanism by which novel 8-hydroxyquinoline-5-sufonyl 1,4-diazepine derivatives act as anti-schistosomal agents, molecular docking of all new compounds was carried out using Molsoft ICM pro 3.5-0a to investigate the binding affinity and binding mode to thioredoxin glutathione reductase enzyme (TGR), a potential drug target for anti-schistosomal agents. The docking results revealed moderate to high affinity of the new compounds towards TGR. Compound 7b scored the highest binding energy (-101.13 kcal/mol) against TGR crystal structure forming eight hydrogen bonds with the amino acid residues at the binding site of the receptor. This result indicates that compound 7b could exert its effect through inhibition of TGR, which is a vital enzyme for schistosome survival. PMID:23247256

  2. Terahertz absorption spectra of 8-hydroxyquinoline and its some metal complexes

    NASA Astrophysics Data System (ADS)

    Liu, Guifeng; Ma, Shihua; Zhao, Hongwei; Ji, Te; Zhang, Zengyan; Wang, Wenfeng

    2009-11-01

    The room temperature terahertz (THz) absorption spectra of 8-hydroxyquinoline (8HQ) and tris(8-hydroxyquinolino)aluminum, bis-(8-hydroxyquinolinato)zinc and copper 8-hydroxyquinoline were clearly measured from 0.3 to 1.8 THz. 8HQ has absorption peaks which occur at 1.02, 1.48, and 1.77 THz. Density functional theory (DFT) was used to predict the vibration frequencies of 8HQ in the frequency range 0-10 THz. Metal complexes have various absorption peaks in the THz region, which may be related to different metal ions and used to distinguish them. These results show that THz-TDS are sensitive tools for characterization of metal complexes.

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

    NASA Astrophysics Data System (ADS)

    Badiei, Alireza; Goldooz, Hassan; Ziarani, Ghodsi Mohammadi

    2011-03-01

    8-Hydroxyquinoline (8-HQ) was attached to mesoporous silica by sulfonamide bond formation between 8-hydroxyquinoline-5-sulfonyl chloride (8-HQ-SO 2Cl) 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.

  4. Magnetic susceptibility of Alq 3 powder, pure and Al-doped 8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Burke, Franklyn; Abid, Mohamed; Stamenov, Plamen; Coey, J. M. D.

    2010-05-01

    Single-crystal nanowires several microns long and 100-200 nm in diameter were grown by physical vapour deposition from mixed Alq 3/γ-Al 2O 3 powder. The crystals are orthorhombic Al-doped 8-hydroxyquinoline. The molar susceptibility is -3×10 -9 at room temperature, and it shows a Curie-law upturn below about 50 K. The approach to saturation at low temperature indicates a density of S={1}/{2} defects 4×10 -4 per formula unit. Pure 8-hydroxyquinoline and aluminium (Alq 3) behave similarly. Pressed pellets exhibit much increased paramagnetic susceptibility due to iron ions scavanged from the steel die. Subsequent melting of these samples produces a ferromagnetic signal of order 0.01 A m 2 kg -1, which is attributed to metallic iron nanoclusters in the organic material.

  5. Growth and spectroscopic characterization of a new organic nonlinear optical crystal—8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Krishnakumar, V.; Nagalakshmi, R.; Janaki, P.

    2005-04-01

    A novel organic nonlinear optical crystal 8-hydroxyquinoline having good optical quality has been grown by slow evaporation solution technique using methanol as solvent. The morphology of the grown crystals were identified by X-ray diffraction method. Solubility studies were made under various solvents and solvent mixtures at different temperatures. Functional groups present in the grown material have been identified using FTIR and FT Raman spectra. Transparency was tested using UV-vis spectrophotometer and the second harmonic generation was also verified.

  6. Catalysis by manganese (III) 8-hydroxyquinolinates of the chemiluminescent reaction of luminol with hydrogen peroxide

    SciTech Connect

    Kalinichenko, I.E.; Matveeva, E.Y.; Pilipenko, A.T.

    1985-09-01

    This paper examines the kinetics of the reaction of luminol with H/sub 2/O/sub 2/ in the presence of Mn (III) 8-hydroxyquinolinate according to the data of measurements of the chemiluminescence intensity and the yield of light in this reaction. A reaction mechanism was proposed, providing for the oxidation of luminol by complexes of Mn (IV) that are formed in the decoposition of H/sub 2/O/sub 2/.

  7. Synthesis and luminescence properties of polymeric complexes of Cu(II), Zn(II) and Al(III) with 8-hydroxyquinoline side group-containing polystyrene

    NASA Astrophysics Data System (ADS)

    Gao, Baojiao; Wei, Xiaopeng; Zhang, Yanyan

    2013-01-01

    Three kinds of metalloquinolate-containing polystyrene were prepared via a polymer reaction and a coordination reaction. 5-Chloromethyl-8-hydroxyquinoline (CHQ) was first prepared through the chloromethylation reaction of 8-hydroxyquinoline (HQ) with 1,4-bichloromethoxy-butane as chloromethylation reagent. A polymer reaction, Friedel-Crafts alkylation reaction, was carried out between polystyrene (PS) and CHQ in the presence of Lewis catalyst, and HQ was bonded onto the side chains of PS, obtaining 8-hydroxyquinoline-functionalized Polystyrene, HQ-PS. And then, by using one-pot method with two-stage procedures, the coordination reaction of HQ-PS and small molecule HQ with metal ions including Al(III), Zn(II) and Cu(II) ions, was allowed to be carried out, and three polymeric metalloquinolates, AlQ3-PS, ZnQ2-PS and CuQ2-PS, were successfully prepared, respectively. In the chemical structures of these polymeric metalloquinolates, metalloquinolates were chemically attached onto the side chains of PS. HQ-PS and three polymeric metalloquinolates were fully characterized by FTIR, 1H NMR and TGA. The luminescence properties of the three polymeric metalloquinolates were mainly investigated by UV/Vis absorption spectra and fluorescence emission spectra in solutions and in solid film states. When excited by the ray at about 365 nm, the three polymeric metalloquinolates have blue-green luminescence, and the main emission peaks in the DMF solutions are located at 490, 482 and 502 nm for AlQ3-PS, ZnQ2-PS and CuQ2-PS, respectively. As compared with their emissions in solutions, the emissions in solid film states are red-shifted to some extent, and the main emission peaks are located at 500, 488 and 510 nm for AlQ3-PS, ZnQ2-PS and CuQ2-PS, respectively. Besides, these polymeric metalloquinolates have higher thermal stability than PS as polymeric skeleton.

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

    PubMed Central

    Prachayasittikul, Veda; Prachayasittikul, Supaluk; Ruchirawat, Somsak; Prachayasittikul, Virapong

    2013-01-01

    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. PMID:24115839

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

    PubMed

    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. PMID:12513168

  10. Betti reaction enables efficient synthesis of 8-hydroxyquinoline inhibitors of 2-oxoglutarate oxygenases.

    PubMed

    Thinnes, C C; Tumber, A; Yapp, C; Scozzafava, G; Yeh, T; Chan, M C; Tran, T A; Hsu, K; Tarhonskaya, H; Walport, L J; Wilkins, S E; Martinez, E D; Müller, S; Pugh, C W; Ratcliffe, P J; Brennan, P E; Kawamura, A; Schofield, C J

    2015-10-28

    There is interest in developing potent, selective, and cell-permeable inhibitors of human ferrous iron and 2-oxoglutarate (2OG) oxygenases for use in functional and target validation studies. The 3-component Betti reaction enables efficient one-step C-7 functionalisation of modified 8-hydroxyquinolines (8HQs) to produce cell-active inhibitors of KDM4 histone demethylases and other 2OG oxygenases; the work exemplifies how a template-based metallo-enzyme inhibitor approach can be used to give biologically active compounds. PMID:26345662

  11. DNA-Binding Interaction Studies of Microwave Assisted Synthesized Sulfonamide Substituted 8-Hydroxyquinoline Derivatives

    PubMed Central

    Dixit, Ritu B.; Patel, Tarosh S.; Vanparia, Satish F.; Kunjadiya, Anju P.; Keharia, Harish R.; Dixit, Bharat C.

    2011-01-01

    Sulfonamide substituted 8-hydroxyquinoline derivatives were prepared using a microwave synthesizer. The interaction of sulfonamide substituted 8-hydroxyquinoline derivatives and their transition metal complexes with Plasmid (pUC 19) DNA and Calf Thymus DNA were investigated by UV spectroscopic studies and gel electrophoresis measurements. The interaction between ligand/metal complexes and DNA was carried out by increasing the concentration of DNA from 0 to 12 μl in UV spectroscopic study, while the concentration of DNA in gel electrophoresis remained constant at 10 μl. These studies supported the fact that, the complex binds to DNA by intercalation via ligand into the base pairs of DNA. The relative binding efficacy of the complexes to DNA was much higher than the binding efficacy of ligands, especially the complex of Cu-AHQMBSH had the highest binding ability to DNA. The mobility of the bands decreased as the concentration of the complex was increased, indicating that there was increase in the interaction between the metal ion and DNA. Complexes of AHQMBSH were excellent for DNA binding as compared to HQMABS. PMID:21773067

  12. Preconcentration of some metal ions with lanthanum-8-hydroxyquinoline co-precipitation system.

    PubMed

    Feist, Barbara; Mikula, Barbara

    2014-03-15

    A method of separation and preconcentration of cadmium, copper, nickel, lead and zinc at trace level using 8-hydroxyquinoline as a chelating agent and lanthanum(III) as a carrier element is proposed. The heavy metals were determined after preconcentration by inductively coupled plasma optical emission spectrometry (ICP-OES). The results were compared with those obtained using flame atomic absorption spectrometry (F-AAS). The influence of several parameters such as pH, amount of lanthanum(III) as a carrier element, amount of 8-hydroxyquinoline, duration of co-precipitation was examined. Moreover, effects of inorganic matrix on recovery of the determined elements were studied. The detection limits (DL) for ICP-OES were 0.31, 2.9, 1.4, 3.2 and 1.2 μg L(-1) for Cd, Cu, Ni, Pb and Zn, respectively, whereas for F-AAS DL were 0.63, 1.1, 3.2, 2.7 and 0.74 μg L(-1). The recovery of the method for the determined elements was better than 94% with relative standard deviation between 0.63% and 2.9%. The preconcentration factor was 60. The proposed method was successfully applied for determination of Cd, Cu, Ni, Pb, and Zn in plant materials. Accuracy of the proposed method was verified using certified reference material (NCS ZC85006 Tomato). PMID:24206710

  13. Synthesis and third-order optical nonlinearities of nickel complexes of 8-hydroxyquinoline derivatives

    NASA Astrophysics Data System (ADS)

    Qian, Yan; Cai, Minmin; Wang, Shuangqing; Yi, Yuanping; Shuai, Zhigang; Yang, Guoqiang

    2010-05-01

    A nickel complex of 5-(acrylamido)methyl-8-hydroxyquinoline, bis-(5-(acrylamido)methyl-8-hydroxyquinolino) nickel(II) (Ni(AAMQ) 2) has been synthesized and its third-order nonlinear optical properties was investigated with respect to that of bis-(8-hydroxyquinolino) nickel(II) (NiQ 2) by single beam Z-scan technique. The real parts ( γR) of the molecular second-order hyperpolarizabilities were -6.0 × 10 -46 and -5.5 × 10 -46 m 5/v 2 for NiQ 2 and Ni(AAMQ) 2, respectively, indicative of similar nonlinear refraction both in sign and in magnitude. After substitution of an acrylamidomethyl group to the 8-hydroxyquinoline (8-HQ) ligand, the nonlinear absorption coefficient of Ni(AAMQ) 2 was enhanced by more than two times. The corresponding imaginary part ( γI) of the molecular second-order hyperpolarizability was 3.4 × 10 -46 m 5/v 2 for Ni(AAMQ) 2 while 1.6 × 10 -46 m 5/v 2 for NiQ 2. The increase in nonlinear absorption was attributed to the substitution effect and the enhanced transition dipole moment due to the participation of δ-donor group of CH 2 in the molecular conjugation.

  14. Studies on influence of light on fluorescence of Tris-(8-hydroxyquinoline)aluminum thin films

    NASA Astrophysics Data System (ADS)

    Thangaraju, K.; Amaladass, P.; Bharathi, K. Shanmuga; Mohanakrishnan, A. K.; Narayanan, V.; Kumar, J.

    2009-03-01

    Tris-(8-hydroxyquinoline)aluminum (Alq 3) thin films, the most widely used electron transport/emissive material in the organic electroluminescent (EL) devices, have been deposited on glass substrates by thermal evaporation process. Alq 3 thin films were exposed to light for various time periods under normal ambient. The fluorescence of as-prepared and light exposed Alq 3 thin films and formation of luminescent quencher have been studied using fluorescence, Mass, MALDI-ToF-MS, 1H & 13C NMR, and FT-IR spectroscopy. It is observed that among the three 8-hydroxyquinoline (HQ) units in Alq 3 molecule, one HQ unit is affected during the light exposure in the normal ambient. It is found that the affected resultant Alq 3 molecule containing the carbonyl group acts as fluorescent quencher and the energy of excitons in the Alq 3 molecule in the light exposed Alq 3 thin films can be non-radiatively transferred to the neighboring fluorescent quencher, quenching the fluorescence of light exposed Alq 3 thin films in the normal ambient.

  15. 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation

    PubMed Central

    Aik, WeiShen; Che, Ka Hing; Li, Xuan Shirley; Kristensen, Jan B. L.; King, Oliver N. F.; Chan, Mun Chiang; Yeoh, Kar Kheng; Choi, Hwanho; Walport, Louise J.; Thinnes, Cyrille C.; Bush, Jacob T.; Lejeune, Clarisse; Rydzik, Anna M.; Rose, Nathan R.; Bagg, Eleanor A.; McDonough, Michael A.; Krojer, Tobias; Yue, Wyatt W.; Ng, Stanley S.; Olsen, Lars; Brennan, Paul E.; Oppermann, Udo; Muller-Knapp, Susanne; Klose, Robert J.; Ratcliffe, Peter J.; Schofield, Christopher J.; Kawamura, Akane

    2015-01-01

    2-Oxoglutarate and iron dependent oxygenases are therapeutic targets for human diseases. Using a representative 2OG oxygenase panel, we compare the inhibitory activities of 5-carboxy-8-hydroxyquinoline (IOX1) and 4-carboxy-8-hydroxyquinoline (4C8HQ) with that of two other commonly used 2OG oxygenase inhibitors, N-oxalylglycine (NOG) and 2,4-pyridinedicarboxylic acid (2,4-PDCA). The results reveal that IOX1 has a broad spectrum of activity, as demonstrated by the inhibition of transcription factor hydroxylases, representatives of all 2OG dependent histone demethylase subfamilies, nucleic acid demethylases and γ-butyrobetaine hydroxylase. Cellular assays show that, unlike NOG and 2,4-PDCA, IOX1 is active against both cytosolic and nuclear 2OG oxygenases without ester derivatisation. Unexpectedly, crystallographic studies on these oxygenases demonstrate that IOX1, but not 4C8HQ, can cause translocation of the active site metal, revealing a rare example of protein ligand-induced metal movement PMID:26682036

  16. Aqueous Co(II) adsorption using 8-hydroxyquinoline anchored γ-Fe2O3@chitosan with Co(II) as imprinted ions.

    PubMed

    Hossein Beyki, Mostafa; Shemirani, Farzaneh; Shirkhodaie, Mahsa

    2016-06-01

    A novel, bio-based 8-hydroxyquinoline (8-HQ) anchored magnetic chitosan using Co(II) as imprinted ions was prepared and applied for selective removal of Co(II) from aqueous solutions. At first, γ-Fe2O3 has been synthesized by solvent free precipitation route and then combined with 8-hydroxyquinoline anchored chitosan using epichlorohydrin (EPH) as crosslinking agent. The FT- IR spectra showed that 8-HQ has been successfully anchored onto chitosan structure. Moreover, TEM analysis confirmed that the nanocomposite has core-shell structure. The experimental results showed that equilibrium time was 10min moreover, the maximum adsorption capacity of Co(II) with non-imprinted and surface imprinted polymer at pH 8 were 66.6 and 100mgg(-1), respectively. The selectivity coefficient of Co(II) ions relative to Cd(II), Ni(II) and Pb(II) were 11, 42 and 2, respectively. Prepared biosorbent represented good stability and good repeatability after three cycle of sorption and desorption using 0.5molL-(1) of HNO3 as eluent. Kinetic and thermodynamic behavior were also investigated and result showed that cobalt adsorption followed second order model and endothermic path. PMID:26944662

  17. Synthesis, Characterization and Antimicrobial Study of Novel 4-{[(8-Hydroxyquinolin-5-yl)methyl]amino}benzenesulfonamide and Its Oxinates.

    PubMed

    Vanparia, Satish F; Patel, Tarosh S; Sojitra, Natvar A; Jagani, Chandresh L; Dixit, Bharat C; Patel, Pradeep S; Dixit, Ritu B

    2010-09-01

    A novel 4-[(8-hydroxyquinolin-5-yl)methyl]aminobenzenesulfonamide (HQMABS) was synthesized by optimized reaction of 4-aminobenzenesulfonamide with 5-chloromethyl-8-hydroxyquinoline hydrochloride (CMHQ). Various oxinates of HQMABS were also prepared using Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II) metal salts. All compounds were analyzed by physicochemical, thermogravimetric and spectroscopic techniques. Antimicrobial activity was carried out using agar-plate method against various strains of bacteria (Staphylococcus aureus, Bacillus subtillis, Pseudomonas aerugionsa, and Escherichia coli) and spores of fungi (Aspergillus niger and Aspergillus flavous). The results showed significantly higher antimicrobial activity of HQMABS compared to the parent 8-hydroxyquinoline and sulfonamide, while oxinates of HQMABS showed milder activity. PMID:24061814

  18. 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

    NASA Astrophysics Data System (ADS)

    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.

  19. First-Principles study of tris(8-hydroxyquinoline)iron(III) molecules: A promising spin filter material

    NASA Astrophysics Data System (ADS)

    Jiang, Wei; Zhou, Miao; Liu, Zheng; Sun, Dali; Vardeny, Z. Valy; Liu, Feng; Feng Liu's Group Team; Z. Valy. Vardeny's Group Team

    2015-03-01

    Using first-principles calculations, we have systematically investigated the structural, electronic, and magnetic properties of facial and meridional tris (8-hydroxyquinoline)iron(III) (Feq3) molecules, solvent-free Feq3 crystals and thin films. Our calculation results show that both Feq3 isomers have a high spin state of 5 μB as the ground state when an on-site Hubbard-U term is included to treat the highly localized Fe 3 d electrons, in agreement with experiment, while the standard DFT calculations produce a low spin Fe state of 1 μB. Furthermore, the freestanding Feq3 films are found to be paramagnetic, but become Ferromagnetic (FM) within each layer when deposited on a NiFe substrate. This is induced by a strong anti-ferromagnetic (AFM) coupling between the first molecular layer and FM substrate. Also, an AFM coupling is found between the molecular layers. These findings suggest that Feq3 molecular films may serve as a promising spin filter material in spintronic devices. This work is supported by National Science Foundation-Materials Research, Science & Engineering Center (NSF-MRSEC Grant # DMR-1121252).

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

    PubMed

    Yang, Yin; Huang, Feng; Huber, Thomas; Su, Xun-Cheng

    2016-02-01

    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. PMID:26732873

  1. Sodium borohydride as an n-type dopant in tris(8-hydroxyquinoline) aluminium thin film

    NASA Astrophysics Data System (ADS)

    Jiao, Bo; Wu, Zhaoxin; Dai, Yang; Wang, Dongdong; Hou, Xun

    2009-10-01

    An efficient n-type dopant, sodium borohydride (NaBH4), in tris(8-hydroxyquinoline) aluminium (Alq3) thin film has been developed. Doping NaBH4 in Alq3 can significantly enhance the electron injection and transport, which can reduce the applied voltage and improve the efficiency of organic light-emitting diodes compared with the referenced device. Using the quartz crystal microbalance test, we demonstrated that NaBH4 decomposes following gas formation during the thermal evaporation process. By calculating the deposited fraction of NaBH4, we concluded that boron and metallic sodium were the main components of the dopant, while gaseous hydrogen formed during the evaporation process. We thus found that, among these two components, metallic sodium is most likely to be the active component of the dopant because of its strong electron donor characteristic.

  2. Synthesis and photophysics of novel 8-hydroxyquinoline aluminum metal dye with hole transfer groups

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoju; Feng, Liheng; Chen, Zhaobin

    2008-12-01

    A novel luminescent dye metal complex, (CZHQ) 3Al, with 8-hydroxyquinoline aluminum and hole-transporting carbazole units was designed and synthesized. The (CZHQ) 3Al optical properties were carefully investigated by UV-vis absorption and fluorescence spectra in diluent solution. The results showed that the luminescent quantum yield of (CZHQ) 3Al was 0.62 in DMSO and it emitted red-light with the band gap of 2.89 eV estimated from the onset absorption. In addition, the light-emission of (CZHQ) 3Al can be quenched by electron acceptor (dimethylterephalate), where the process followed the Stern-Volmer equation. However, the fluorescent intensities of (CZHQ) 3Al were slowly increased with the addition of electron donor ( N, N-dimethylaniline). Furthermore, the molecular interactions of (CZHQ) 3Al with fullerene (C 60) and carbon nanotubes (CNTs) were also respectively investigated, which indicated the metal dye can be used as new fluorescent probe.

  3. Synthesis of highly luminescent cobalt(ii)-bis(8-hydroxyquinoline) nanosheets as isomeric aromatic amine probes

    NASA Astrophysics Data System (ADS)

    Li, Haibing; Li, Yuling

    2009-09-01

    Highly luminescent and water-soluble cobalt(ii)-bis(8-hydroxyquinoline) (CoQ2) nanosheets have been successfully synthesized via a simple, rapid sonochemical method. The water-soluble CoQ2 nanosheets were characterized by luminescence spectroscopy, UV-vis spectroscopy, FT-IR spectroscopy and transmission electron microscopy (TEM). The CoQ2 nanosheets allow highly sensitive and selective determination of p-nitroaniline via fluorescence quenching. Under optimal conditions, the relative fluorescence intensities of nanosheets decreased linearly with increasing p-nitroaniline. However, the sensitivity of CoQ2 nanosheets toward other aromatic amines including o-diaminobenzene, m-diaminobenzene, p-diaminobenzene, p-toluidine, o-nitroaniline, m-nitroaniline, p-chloroaniline and aniline is negligible. It is found that p-nitroaniline can quench the luminescence of CoQ2 nanosheets in a concentration-dependent manner that is best described by a Stern-Volmer-type equation. The possible underlying mechanism is discussed.Highly luminescent and water-soluble cobalt(ii)-bis(8-hydroxyquinoline) (CoQ2) nanosheets have been successfully synthesized via a simple, rapid sonochemical method. The water-soluble CoQ2 nanosheets were characterized by luminescence spectroscopy, UV-vis spectroscopy, FT-IR spectroscopy and transmission electron microscopy (TEM). The CoQ2 nanosheets allow highly sensitive and selective determination of p-nitroaniline via fluorescence quenching. Under optimal conditions, the relative fluorescence intensities of nanosheets decreased linearly with increasing p-nitroaniline. However, the sensitivity of CoQ2 nanosheets toward other aromatic amines including o-diaminobenzene, m-diaminobenzene, p-diaminobenzene, p-toluidine, o-nitroaniline, m-nitroaniline, p-chloroaniline and aniline is negligible. It is found that p-nitroaniline can quench the luminescence of CoQ2 nanosheets in a concentration-dependent manner that is best described by a Stern-Volmer-type equation. The possible underlying mechanism is discussed. Electronic supplementary information (ESI) available: XRD pattern of the CoQ2 nanosheets, the UV-vis absorption spectra and fluorescence spectra of ligand Q, CoQ2 and CoQ2 nanosheets. See DOI: 10.1039/b9nr00019d

  4. Isotope effect in the spin response of aluminum tris(8-hydroxyquinoline) based devices

    NASA Astrophysics Data System (ADS)

    Nguyen, Tho D.; Basel, T. P.; Pu, Y.-J.; Li, X.-G.; Ehrenfreund, E.; Vardeny, Z. V.

    2012-06-01

    We studied the spin response of various magnetic field effects and magnetotransport in both protonated and deuterated aluminum tris(8-hydroxyquinoline) [Alq3]-based organic light emitting diodes and spin-valve devices. Both conductivity-detected magnetic resonance in diodes and magnetoresistance in spin valves show substantial isotope dependence pointing to the importance of the hyperfine interaction (HFI) in the spin response of spin ½ charge polarons in Alq3. In addition, the low field (B < 20 mT) magnetoelectroluminescence (MEL) response is also isotope sensitive, showing that HFI-induced spin mixing of polaron-pairs spin sublevels dominates this response too. However, the magnetoconductance (MC) response was found to be much less sensitive to isotope exchange at low fields, in agreement with previous studies. The disparity between the isotope sensitivity of MC and MEL responses in Alq3 indicates that the HFI in the MC response is overwhelmed by an isotope independent spin mixing mechanism. We propose that collisions of spin ½ carriers—with triplet species such as polaron pairs may be the main spin mixing mechanism in the low field MC response in Alq3 diodes.

  5. Fluorescent complexes of nucleic acids/8-hydroxyquinoline/lanthanum(III) and the fluorometry of nucleic acids

    SciTech Connect

    Cheng Zhi Huang; Ke An Li; Shen Yang Tong

    1996-07-01

    The ternary fluorescent complexes of nucleic acids/8-hydroxyquinoline/lanthanum (III) were studied. Nucleic acids in the study involve natured and thermally denatured calf thymus DNA, fish sperm DNA and yeast RNA. In the range of PH 8.0-8.4 (controlled by NH{sub 3}-NH{sub 4}Cl buffer) ternary fluorescent complexes are formed which emit at 485.0 nm for calf thymus DNA and at 480.0 nm for fish sperm DNA when excited at 265.0 nm. Based on the fluorescence reactions sensitive fluorometric methods for nucleic acids were proposed. Using optimal conditions, the calibration curves were linear in the range of 0.4 --3.6 {mu}g{sup .}ml{sup -1} for calf thymus DNA, 0.4 -- 4.0 {mu}g{sup .}ml{sup -1} for fish sperm DNA and 0.4 --4.0{mu}g{sup .}ml{sup -1} for yeast RNA, respectively. Five synthetic samples were determined with satisfaction.

  6. Adsorption and solid phase extraction of 8-hydroxyquinoline from aqueous solutions by using natural bentonite

    NASA Astrophysics Data System (ADS)

    Erdem, Bilge; Özcan, Adnan; Özcan, A. Safa

    2010-06-01

    The nitrogen-heterocyclic compound 8-hydroxyquinoline (8HQ) is one of the components of coal tar and has a wide variety of uses in industry. Because of its toxicity for aquatic organisms and harmful effects for human health, the removal of 8HQ from aqueous solutions by adsorption onto natural bentonite was investigated in the present work. The experimental results show that the optimum pH value of 2.5 is favourable for the 8HQ adsorption. The experimental data were fitted well with the pseudo-second-order kinetic and Langmuir adsorption isotherm models at all studied temperatures. The maximum adsorption capacity obtained from the Langmuir isotherm model at 20 °C was 120.6 mg g -1. The calculated thermodynamic results such as Δ G° (-24.3 kJ mol -1) and Δ H° (-9.56 kJ mol -1) indicate that the adsorption process is spontaneous and exothermic in nature. Solid phase extraction of 8HQ was also performed. The X-ray diffractometry (XRD), Fourier Transform Infrared (FTIR) and thermogravimetric (TG) analyses were carried out in order to confirm the 8HQ adsorption onto bentonite. According to the obtained results, natural bentonite can be a reusable and effective adsorbent for the removal of 8HQ.

  7. Novel Fluorinated 8-Hydroxyquinoline Based Metal Ionophores for Exploring the Metal Hypothesis of Alzheimer's Disease.

    PubMed

    Liang, Steven H; Southon, Adam G; Fraser, Benjamin H; Krause-Heuer, Anwen M; Zhang, Bo; Shoup, Timothy M; Lewis, Rebecca; Volitakis, Irene; Han, Yifeng; Greguric, Ivan; Bush, Ashley I; Vasdev, Neil

    2015-09-10

    Zinc, copper, and iron ions are involved in amyloid-beta (Aβ) deposition and stabilization in Alzheimer's disease (AD). Consequently, metal binding agents that prevent metal-Aβ interaction and lead to the dissolution of Aβ deposits have become well sought therapeutic and diagnostic targets. However, direct intervention between diseases and metal abnormalities has been challenging and is partially attributed to the lack of a suitable agent to determine and modify metal concentration and distribution in vivo. In the search of metal ionophores, we have identified several promising chemical entities by strategic fluorination of 8-hydroxyquinoline drugs, clioquinol, and PBT2. Compounds 15-17 and 28-30 showed exceptional metal ionophore ability (6-40-fold increase of copper uptake and >2-fold increase of zinc uptake) and inhibition of zinc induced Aβ oligomerization (EC50s < ∼5 μM). These compounds are suitable for further development as drug candidates and/or positron emission tomography (PET) biomarkers if radiolabeled with (18)F. PMID:26396692

  8. DFT studies of the bonding mechanism of 8-hydroxyquinoline and derivatives on the (111) aluminum surface.

    PubMed

    Chiter, Fatah; Lacaze-Dufaure, Corinne; Tang, Hao; Pébère, Nadine

    2015-09-14

    The 8-hydroxyquinoline (8-HQ) molecule is an efficient corrosion inhibitor for aluminum and is also used in organic electronic devices. In this paper, the adsorption modes of 8-HQ and its derivatives (tautomer, dehydrogenated and hydrogenated species) on the Al(111) surface are characterized using dispersion corrected density functional theory calculations. The 8-HQ molecule is physisorbed and is chemisorbed on the aluminum surface with similar adsorption energy (-0.86 eV to -1.11 eV) and these adsorption modes are stabilized by vdW interactions. The binding of the dehydrogenated species is the strongest one (adsorption energy of -3.27 eV to -3.45 eV), followed by the tautomer molecule (-2.16 eV to -2.39 eV) and the hydrogenated molecule (-1.71 eV) that bind weaker. In all the chemisorbed configurations there is a strong electronic transfer from the Al substrate to the adsorbate (0.72 e to 2.16 e). The adsorbate is strongly distorted and its deformation energy is high (0.55 eV to 2.77 eV). The analysis of the projected density of states onto the orbitals of the molecule and the electronic density variation upon adsorption (Δρ) between the molecule and the surface account for covalent bonding. PMID:26243038

  9. Interaction of 8-Hydroxyquinoline with Soil Environment Mediates Its Ecological Function

    PubMed Central

    Inderjit; Bajpai, Devika; Rajeswari, M. S.

    2010-01-01

    Background Allelopathic functions of plant-released chemicals are often studied through growth bioassays assuming that these chemicals will directly impact plant growth. This overlooks the role of soil factors in mediating allelopathic activities of chemicals, particularly non-volatiles. Here we examined the allelopathic potential of 8-hydroxyquinoline (HQ), a chemical reported to be exuded from the roots of Centaurea diffusa. Methodology/Principal Findings Growth bioassays and HQ recovery experiments were performed in HQ-treated soils (non-sterile, sterile, organic matter-enriched and glucose-amended) and untreated control soil. Root growth of either Brassica campestris or Phalaris minor was not affected in HQ-treated non-sterile soil. Soil modifications (organic matter and glucose amendments) could not enhance the recovery of HQ in soil, which further supports the observation that HQ is not likely to be an allelopathic compound. Hydroxyquinoline-treated soil had lower values for the CO2 release compared to untreated non-sterile soil. Soil sterilization significantly influenced the organic matter content, PO4-P and total organic nitrogen levels. Conclusion/Significance Here, we concluded that evaluation of the effect of a chemical on plant growth is not enough in evaluating the ecological role of a chemical in plant-plant interactions. Interaction of the chemical with soil factors largely determines the impact of HQ on plant growth. PMID:20877629

  10. Synthesis and photophysics of novel 8-hydroxyquinoline aluminum metal dye with hole transfer groups.

    PubMed

    Wang, Xiaoju; Feng, Liheng; Chen, Zhaobin

    2008-12-15

    A novel luminescent dye metal complex, (CZHQ)3Al, with 8-hydroxyquinoline aluminum and hole-transporting carbazole units was designed and synthesized. The (CZHQ)3Al optical properties were carefully investigated by UV-vis absorption and fluorescence spectra in diluent solution. The results showed that the luminescent quantum yield of (CZHQ)3Al was 0.62 in DMSO and it emitted red-light with the band gap of 2.89 eV estimated from the onset absorption. In addition, the light-emission of (CZHQ)3Al can be quenched by electron acceptor (dimethylterephalate), where the process followed the Stern-Volmer equation. However, the fluorescent intensities of (CZHQ)3Al were slowly increased with the addition of electron donor (N,N-dimethylaniline). Furthermore, the molecular interactions of (CZHQ)3Al with fullerene (C60) and carbon nanotubes (CNTs) were also respectively investigated, which indicated the metal dye can be used as new fluorescent probe. PMID:18550423

  11. Fluoride ion detection by 8-hydroxyquinoline-Zr(IV)-EDTA complex

    NASA Astrophysics Data System (ADS)

    Sathish, R. Sai; Sujith, U.; Rao, G. Nageswara; Janardhana, C.

    2006-11-01

    A simple fluorescent detection based on the ligand exchange mechanism is proposed for the fluoride ion in aqueous media. This procedure is based on the exchange of 8-hydroxyquinoline (oxine) coordinated to Zr(IV) by fluoride ion without interference from other common anions. The ternary complex of oxine with [Zr(H 2O) 2EDTA]·2H 2O formed by replacing two water molecules in aqueous solution provides a sensitive signalling system for fluoride ion in the concentration range from 6 × 10 -7 M to 8 × 10 -4 M. The green fluorescence ( λmax = 532 nm) exhibited by the complex upon excitation at 247 nm decreases in intensity with fluoride addition with a detection limit of 12 ppb. The complexation reaction between oxine and Zr(IV)-EDTA and the ligand exchange reaction with fluoride ion has been investigated by UV-vis and fluorescence spectroscopies combined with the PM3 semi-empirical quantum chemical calculations. Job's method of continuous variation and the molar ratio method ascertain a 1:1 stoichiometry composition of the chelate in aqueous media.

  12. Comparative vibrational spectroscopic studies, HOMO-LUMO and NBO analysis of 5,7-dibromo-8-hydroxyquinoline and 5,7-dichloro-8-hydroxyquinoline based on Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Lakshmi, A.; Balachandran, V.; Janaki, A.

    2011-10-01

    Comparative studies of the Raman and infrared spectra, the geometry, frequency and intensity of the vibrational bands of 5,7-dibromo-8-hydroxyquinoline (DBHQ) and 5,7-dichloro-8-hydroxyquinoline (DCHQ) were obtained by using Density Functional Theory calculations (DFT) with B3LYP functional and 6-311++G ** basis set. The effects of bromine and chlorine substituents on the vibrational frequencies of 8-hydroxyquinoline have been investigated. The assignments have been proposed with aid of the results of normal coordinate analysis. Coupling of vibrations have been determined by calculating potential energy distributions (PEDs). The molecular stability and bond strength was investigated by applying the Natural Bond Orbital analysis (NBO). The other molecular properties like Mulliken population analysis, thermodynamic functions and polarizabilities of the title compounds have been reported. The calculated HOMO and LUMO energies show that charge transfer occur in the molecules. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP).

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

    NASA Astrophysics Data System (ADS)

    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).

  14. TAME5OX, abiotic siderophore analogue to enterobactin involving 8-hydroxyquinoline subunits: Thermodynamic and photophysical studies

    NASA Astrophysics Data System (ADS)

    Akbar, Rifat; Baral, Minati; Kanungo, B. K.

    2015-05-01

    The synthesis, thermodynamic and photophysical properties of trivalent metal complexes of biomimetic nonadentate analogue, 5,5‧-(2-(((8-hydroxyquinolin-5-yl)methylamino)methyl)-2-methylpropane-1,3-diyl)bis(azanediyl)bis(methylene)diquinolin-8-ol (TAME5OX), have been described. Combination of absorption and emission spectrophotometry, potentiometry, electrospray mass spectrometry, IR, and theoretical investigation were used to fully characterize metal (Fe+3, Al+3 and Cr+3) chelates of TAME5OX. In solution, TAME5OX forms protonated complexes [M(H3L)]3+ below pH 3.4, which consecutively deprotonates through one to three-proton processes with rise of pH. The formation constants (Log β11n) of neutral complexes formed at or above physiological pH, have been determined to be 30.18, 23.27 and 22.02 with pM values of 31.16, 18.07 and 18.12 for Fe+3, Al+3 and Cr+3 ions, respectively, calculated at pH 7.4, indicating TAME5OX is a powerful among synthetic metal chelator. The results clearly demonstrate that the ligand in a tripodal orchestration firmly binds these ions over wide pH range and forms distorted octahedral complexes. The binding and the coordination event could be monitored from absorption and fluorescence spectroscopy. The high thermodynamic stability in water at physiological pH of ferric complex of TAME5OX indicates that these complexes are resistant to hydrolysis and therefore are well suited for the development of device for applications as probes. The ligand displays high sensitive fluorescence enhancement to Al3+ at pH 7.4, in water. Moreover, TAME5OX can distinguish Al3+ from Fe3+ and Cr3+ via two different sensing mechanisms: photoinduced electron transfer (PET) for Al3+ and internal charge transfer (ICT) for Fe3+ and Cr3+. Density functional theory was employed for optimization and evaluation of vibrational modes, NBO analysis, excitation and emission properties of the different species of metal complexes observed by solution studies.

  15. TAME5OX, abiotic siderophore analogue to enterobactin involving 8-hydroxyquinoline subunits: thermodynamic and photophysical studies.

    PubMed

    Akbar, Rifat; Baral, Minati; Kanungo, B K

    2015-05-01

    The synthesis, thermodynamic and photophysical properties of trivalent metal complexes of biomimetic nonadentate analogue, 5,5'-(2-(((8-hydroxyquinolin-5-yl)methylamino)methyl)-2-methylpropane-1,3-diyl)bis(azanediyl)bis(methylene)diquinolin-8-ol (TAME5OX), have been described. Combination of absorption and emission spectrophotometry, potentiometry, electrospray mass spectrometry, IR, and theoretical investigation were used to fully characterize metal (Fe(+3), Al(+3) and Cr(+3)) chelates of TAME5OX. In solution, TAME5OX forms protonated complexes [M(H3L)](3+) below pH 3.4, which consecutively deprotonates through one to three-proton processes with rise of pH. The formation constants (Logβ11n) of neutral complexes formed at or above physiological pH, have been determined to be 30.18, 23.27 and 22.02 with pM values of 31.16, 18.07 and 18.12 for Fe(+3), Al(+3) and Cr(+3) ions, respectively, calculated at pH 7.4, indicating TAME5OX is a powerful among synthetic metal chelator. The results clearly demonstrate that the ligand in a tripodal orchestration firmly binds these ions over wide pH range and forms distorted octahedral complexes. The binding and the coordination event could be monitored from absorption and fluorescence spectroscopy. The high thermodynamic stability in water at physiological pH of ferric complex of TAME5OX indicates that these complexes are resistant to hydrolysis and therefore are well suited for the development of device for applications as probes. The ligand displays high sensitive fluorescence enhancement to Al(3+) at pH 7.4, in water. Moreover, TAME5OX can distinguish Al(3+) from Fe(3+) and Cr(3+) via two different sensing mechanisms: photoinduced electron transfer (PET) for Al(3+) and internal charge transfer (ICT) for Fe(3+) and Cr(3+). Density functional theory was employed for optimization and evaluation of vibrational modes, NBO analysis, excitation and emission properties of the different species of metal complexes observed by solution studies. PMID:25703371

  16. Antimicrobial Activity of Metal & Metal Oxide Nanoparticles Interfaced With Ligand Complexes Of 8-Hydroxyquinoline And α-Amino Acids

    NASA Astrophysics Data System (ADS)

    Bhanjana, Gaurav; Kumar, Neeraj; Thakur, Rajesh; Dilbaghi, Neeraj; Kumar, Sandeep

    2011-12-01

    Antimicrobial nanotechnology is a recent addition to the fight against disease causing organisms, replacing heavy metals and toxins. In the present work, mixed ligand complexes of metals like zinc, silver etc. and metal oxide have been synthesized using 8-hydroxyquinoline (HQ) as a primary ligand and N-and/O-donor amino acids such as L-serine, L-alanine, glycine, cysteine and histidine as secondary ligands. These complexes were characterized using different spectroscopic techniques. The complexes were tested for antifungal and antibacterial activity by using agar well diffusion bioassay.

  17. Some features of electro-optical properties of polymeric compositions doped with 8-hydroxyquinoline based azodyes and their cobalt complexes

    NASA Astrophysics Data System (ADS)

    Davidenko, N. A.; Davidenko, I. I.; Savchenko, I. A.; Sinyugina, A. T.; Studzinsky, S. L.; Tonkopieva, L. S.; Deberdeev, T. R.; Kolendo, A. Yu.; Zaikov, G. E.

    2014-05-01

    Polymeric composites based on the copolymer butyl methacrylate: nonyl methacrylate (3:1) doped 8-hydroxyquinoline azo dyes with donor and acceptor substitutes and their complexes with cobalt are obtained. The influence of the external electric field on the polymeric films transmission of linear polarized light in the long-wave part of the azo dyes absorption range, (corresponding ππ* azo fragments absorption range) and their metal complexes are observed. The influence of the electric field on the transmission is connected with the aligning forces for dipole moments of azobenzene groups and metal ions.

  18. Comparative solution equilibrium studies of anticancer gallium(III) complexes of 8-hydroxyquinoline and hydroxy(thio)pyrone ligands.

    PubMed

    Enyedy, Éva A; Dömötör, Orsolya; Varga, Erika; Kiss, Tamás; Trondl, Robert; Hartinger, Christian G; Keppler, Bernhard K

    2012-12-01

    The stoichiometry and stability constants of the Ga(III) complexes of 8-hydroxyquinoline (HQ), 8-hydroxyquinoline-5-sulfonate (HQS), maltol, thiomaltol, allomaltol and thioallomaltol were determined by means of pH-potentiometry, UV-vis spectrophotometry, spectrofluorometry and (1)H NMR spectroscopy in aqueous solution. Spectrofluorometry was used to determine the stability constants of the Ga(III)-HQ species in water. Formation of [GaL](2+), [GaL(2)](+) and [GaL(3)] complexes was found and the Ga(III) binding ability of the ligands followed the order: thioallomaltol

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

    NASA Astrophysics Data System (ADS)

    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.

  20. A Simple Plant Nutrient Solution Purification Method for Effective Removal of Trace Metals Using Controlled Pore Glass-8-Hydroxyquinoline Chelation Column Chromatography

    PubMed Central

    Eskew, David L.; Welch, Ross M.; Cary, Earle E.

    1984-01-01

    Column chelation chromatography on controlled pore glass-8-hydroxyquinoline was demonstrated to be a very efficient method for removing trace metal contaminants from concentrated macronutrient salt solutions used to prepare nutrient media. By using 63Ni and 65Zn radio-isotopes as tracers, controlled pore glass-8-hydroxyquinoline column packings were found to retain 99.9% of the radiotracer and quantitative recovery of the radioisotopes from these columns was obtained by eluting with 1.2 n HCl. This method has several advantages over liquid-liquid extraction methods of purification which previously have been used in plant micronutrient research. PMID:16663778

  1. Tumor Cellular Proteasome Inhibition and Growth Suppression by 8-Hydroxyquinoline and Clioquinol Requires Their Capabilities to Bind Copper and Transport Copper into Cells

    PubMed Central

    Zhai, Shumei; Yang, Lei; Cui, Qiuzhi Cindy; Sun, Ying; Dou, Q. Ping; Yan, Bing

    2009-01-01

    We have previously reported that when mixed with copper, 8-hydroxyquinoline (8-OHQ) and its analog clioquinol (CQ) inhibited the proteasomal activity and proliferation in cultured human cancer cells. CQ treatment of high copper-containing human tumor xenografts also caused cancer suppression, associated with proteasome inhibition in vivo. However, the nature of copper dependence of these events has not been elucidated experimentally. In the current study, by using chemical probe molecules that mimic structures of 8-OHQ and CQ, but have no copper binding capability, we dissected the complex cellular processes elicited by 8-OHQ-Cu or CQ-Cu mixture and revealed that copper-binding to 8-OHQ or CQ is required for transportation of copper complex into human breast cancer cells and the consequent proteasome-inhibitory, growth-suppressive and apoptosis-inducing activities. In contrast, the non-copper-binding analogs of 8-OHQ or CQ blocked the very first step – copper binding in this chain of events mediated by 8-OHQ-Cu or CQ-Cu. PMID:19809836

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

    NASA Astrophysics Data System (ADS)

    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.

  3. Selective detection of 2,4,6-trinitrophenol based on a fluorescent nanoscale bis(8-hydroxyquinoline) metal complex.

    PubMed

    Lv, Xiao-Jun; Qi, Liang; Gao, Xiang-Yu; Wang, Huan; Huo, Yuan; Zhang, Zhi-Qi

    2016-04-01

    The reliable and accurate detection of explosives such as 2,4,6-trinitrophenol (TNP) and 2,4,6-trinitrotoluene (TNT) is in high demand for homeland security and public safety. Although extremely high sensitivity towards TNT has been demonstrated, detection of TNP remains a challenge. In this work, a fluorescent nanoscale complex composed of bis(8-hydroxyquinoline) and Al(3+) ions has been prepared, characterized and applied in detection of TNP. This complex exhibits the ability to sense the nitro explosive TNP via a fluorescence quenching mechanism with high selectivity. A simple paper test system for the rapid monitoring of TNP was also investigated. The results show that Bhq-Al is a quite ideal sensing material for trace-level detection of TNP. PMID:26838414

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

    NASA Astrophysics Data System (ADS)

    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).

  5. Synthesis and photophysics of novel 8-hydroxyquinoline aluminum metal complex with 1,3,4-oxadiazole units

    NASA Astrophysics Data System (ADS)

    Feng, Liheng; Wang, Xiaoju; Chen, Zhaobin

    2008-11-01

    A novel luminescent metal complex, (OXHQ) 3Al, with 8-hydroxyquinoline aluminum and electron-transporting 1,3,4-oxadiazole unit was designed and synthesized. The photophysical processes were investigated by UV-vis absorption and fluorescence emission spectra in diluent solution. The results showed that the luminescence quantum yield of (OXHQ) 3Al was 0.67 in DMSO and it emitted blue light with the band gap of 3.13 eV estimated from the onset absorption. In addition, the light-emitting of (OXHQ) 3Al can be quenched by electron acceptor (dimethylterephalate), where the processes followed the Stern-Volmer equation. However, with the addition of electron donor ( N, N-dimethylaniline) fluorescent intensity of (OXHQ) 3Al was increased and emission peak was lightly blue-shift. Furthermore, the molecular interactions of (OXHQ) 3Al with fullerene (C 60) or carbon nanotubes (CNTs) were also carefully investigated.

  6. Photoluminescence properties of new Zn(II) complexes with 8-hydroxyquinoline ligands: Dependence on volume and electronic effect of substituents

    NASA Astrophysics Data System (ADS)

    Huo, Yanping; Lu, Jiguo; Hu, Sheng; Zhang, Liming; Zhao, Fenghua; Huang, Huarong; Huang, Baohua; Zhang, Li

    2015-03-01

    A series of 2-arylethenyl-8-hydroxyquinoline ligands (A1-A4) with a trimethoxyphenyl, naphthyl, 2-fluoro-4-bromophenyl and anthracenyl group and their corresponding Zn(II) complexes (B1-B4) were synthesized and characterized by means of 1H NMR, ESI-MS, FT-IR and elemental analysis. A1 and A4 were characterized by single-crystal X-ray crystallography. The aggregation behavior of zinc salt and ligands in solution was investigated by several techniques, containing 1H NMR, UV-vis and photoluminescence (PL). The electronic nature and volume of arylethenyl substituents affect the absorption wavelength, the emission color, fluorescence lifetime, fluorescence quantum yield and thermostability of Zn(II) complexes. The experiments corroborated that the properties of Zinc(II) complexes can be tuned by introducing different functional substituents.

  7. An Introduction to Multivariate Curve Resolution-Alternating Least Squares: Spectrophotometric Study of the Acid-Base Equilibria of 8-Hydroxyquinoline-5-Sulfonic Acid

    ERIC Educational Resources Information Center

    Rodriguez-Rodriguez, Cristina; Amigo, Jose Manuel; Coello, Jordi; Maspoch, Santiago

    2007-01-01

    A spectrophotometric study of the acid-base equilibria of 8-hydroxyquinoline-5-sulfonic acid to describe the multivariate curve resolution-alternating least squares algorithm (MCR-ALS) is described. The algorithm provides a lot of information and hence is of great importance for the chemometrics research.

  8. Indium-tin-oxide-free tris(8-hydroxyquinoline) Al organic light-emitting diodes with 80% enhanced power efficiency

    SciTech Connect

    Cai, Min; Xiao, Teng; Liu, Rui; Chen, Ying; Shinar, Ruth; Shinar, Joseph

    2011-10-11

    Efficient indium tin oxide (ITO)-free small molecule organic light-emitting diodes (SMOLEDs) with multilayered highly conductive poly(3,4-ethylenedioxy thiophene):poly(styrenesulfonate) (PEDOT:PSS) as the anode are demonstrated. PEDOT:PSS/MoO{sub 3}/N,N'-diphenyl- N,N'-bis(1-naphthylphenyl)-1,1'-biphenyl-4,4'-diamine (NPD)/tris(8-hydroxyquinoline) Al (Alq{sub 3})/4,7-diphenyl-1,10-phenanthroline (BPhen)/LiF/Al SMOLEDs exhibited a peak power efficiency of 3.82 lm/W, 81% higher than that of similar ITO-based SMOLEDs (2.11 lm/W). The improved performance is believed to be due to the higher work function, lower refractive index, and decreased surface roughness of PEDOT:PSS vs ITO, and to Ohmic hole injection from PEDOT:PSS to the NPD layer via the MoO{sub 3} interlayer. The results demonstrate that PEDOT:PSS can substitute ITO in SMOLEDs with strongly improved device performance.

  9. Spectrophotometric and spectroscopic studies of complexation of 8-hydroxyquinoline with π acceptor metadinitrobenzene in different polar solvents

    NASA Astrophysics Data System (ADS)

    Khan, Ishaat M.; Ahmad, Afaq

    2009-09-01

    The complexation of electron donor-acceptor complexes of 8-hydroxyquinoline (8HQ) and metadinitrobenzene (MNB) have been studied spectrophotometrically and thermodynamically in different polar solvent at room temperature. A new absorption band due to charge transfer (CT) transition is observed in the visible region. A new theoretical model has been developed which take into account the interaction between electronic subsystem of 8HQ and MNB. The results indicate the extent of charge transfer complexes (CTCs) formation to be more in less polar solvents. Stoichiometry of the complex was found to be 1:1 by straight line method and 1H NMR between donor and acceptor at the maximum absorption bands. Ionization potential ( ID) and resonance energy ( RN) were determined from the CT transition energy in different solvents. The formation constants of the complexes were determined in different polar solvents from which Δ G° formation of the complexes was estimated and also extinction coefficient of the charge transfer complex (CTC) was calculated. Oscillator strength, transition dipole strengths and maximum wavelength of the CTC ( λCT) in various solvents and IR spectra of the CTC have also been discussed. It has been observed that all parameters described above changed with change in polarity and concentration of donor.

  10. Toxicity of 8-Hydroxyquinoline in Cryprinus carpio Using the Acute Toxicity Test, Hepatase Activity Analysis and the Comet Assay.

    PubMed

    Yan, Shuaiguo; Chen, Lili; Dou, Xiaofei; Qi, Meng; Du, Qiyan; He, Qiaoqiao; Nan, Mingge; Chang, Zhongjie; Nan, Ping

    2015-08-01

    To evaluate the environmental toxicity of 8-hydroxyquinoline (8-HOQ), an important industrial raw material found in China's major ornamental fish, Cryprinus carpio, using the acute toxicity test, hepatase activity analysis and the comet assay. The results indicated that 8-HOQ had significant acute toxicity in adult C. carpio with a 96 h-LC50 of 1.15 and 0.22 mg L(-1) hepatic quinoline residues as assessed by HPLC. 8-HOQ also induced genotoxicity in the form of strand breaks in the DNA of hepatic cells as shown by the comet assay. With regard to physiological toxicity, 8-HOQ induced a decrease in the activities of hepatic GOT and GPT with increased exposure concentration and time. These data suggest that 8-HOQ may be toxic to the health of aquatic organisms when accidentally released into aquatic ecosystems. The data also suggest that the comet assay may be used in biomonitoring to determine 8-HOQ genotoxicity and hepatic GPT and GOT activities may be potential biomarkers of physiological toxicity. PMID:26067700

  11. Synthesis and luminescence properties of polymeric complexes of Cu(II), Zn(II) and Al(III) with functionalized polybenzimidazole containing 8-hydroxyquinoline side group

    NASA Astrophysics Data System (ADS)

    Zhong, Chaofan; Wu, Qian; Guo, Rongfang; Zhang, Hailiang

    2008-02-01

    The polymeric ligand PBI-8Q ( 2) (functionalized polybenzimidazole containing 8-hydroxyquinoline side group) was successfully synthesized by the reaction of polybenzimidazole (PBI) ( 1) with 5-chloro-8-hydroxyquinoline (5-Cl-8Q) in DMSO solvent by using NaH as deprotonation reagent. Its corresponding metal complexes of Cu(II), Zn(II) and Al(III) were prepared and characterized through FT-IR, 1H NMR, molar conductance measurements and thermal analysis. The luminescence properties of all compounds were also studied by UV-vis and fluorescence spectra at ambient temperature. When excited from 338 to 415 nm, these compounds emit blue light of about 415 nm in solution and blue/green light from 483 to 552 nm in solid state, respectively. Thermal properties measurement and analysis show that they have good thermal stabilities.

  12. Morphological study of aluminum tris(8-hydroxyquinoline) thin films using infrared and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Curry, R. J.; Gillin, W. P.; Clarkson, J.; Batchelder, D. N.

    2002-08-01

    We present comprehensive Raman spectra for thin films of Alq3, annealed at various temperatures up to 300 degC, over the range of 70-1800 cm-1. These spectra give strong evidence for structural rearrangement of thin films of Alq3 upon annealing at temperatures above 200 degC. Needle like crystals are observed to grow in the films and confirmed to be comprised of the alpha-Alq3 polymorph using the low energy Raman spectra. Furthermore, no evidence of the fac isomer or thermal interconversion between the mer and fac isomers of Alq3 was observed in either the infrared or Raman spectra of the thin films or powder. These results may have implications for the long-term efficiencies of organic light emitting diodes incorporating thin films of Alq3.

  13. Development of a Direct and Continuous Phospholipase D Assay Based on the Chelation-Enhanced Fluorescence Property of 8-Hydroxyquinoline.

    PubMed

    Rahier, Renaud; Noiriel, Alexandre; Abousalham, Abdelkarim

    2016-01-01

    Through its production of phosphatidic acid (PA), phospholipase D (PLD) is strongly involved in vesicular trafficking and cell signaling, making this enzyme an important therapeutic target. However, most PLD assays developed so far are either discontinuous or based on the indirect determination of choline released during PLD-catalyzed phosphatidylcholine hydrolysis, making its kinetic characterization difficult. We present here the development of a direct, specific, and continuous PLD assay that is based on the chelation-enhanced fluorescence property of 8-hydroxyquinoline (8HQ) following Ca(2+) complexation with PLD-generated PA. The real-time fluorescence intensity from 8HQ/Ca(2+)/PA complexes can be converted to concentrations of product using a calibration curve, with a detection limit of 1.2 μM of PA on a microplate scale, thus allowing measurement of the PLD-catalyzed reaction rate parameters. Hence, this assay is well adapted for studying the substrate specificity of PLD, together with its kinetic parameters, using natural phospholipids with various headgroups. In addition, the assay was found to be effective in monitoring the competitive inhibition of PA formation in the production of phosphatidylalcohols following the addition of primary alcohols, such as ethanol, propan-1-ol, or butan-1-ol. Finally, this assay was validated using the purified recombinant Vigna unguiculata PLD, as well as the PLD from Streptomyces chromofuscus, cabbage, or peanuts, and no PA production could be detected using phospholipase A1, phospholipase A2, or phospholipase C, allowing for a reliable determination of PLD activity in crude protein extract samples. This easy to handle PLD assay constitutes, to our knowledge, the first direct and continuous PA determination method on a microplate scale. PMID:26636829

  14. Motional modes in bulk powder and few-molecule clusters of tris(8-hydroxyquinoline aluminum) and their relation to spin dephasing

    NASA Astrophysics Data System (ADS)

    Das, Lopamudra; Mateo, Jennette; Bandyopadhyay, Saumil; Bandyopadhyay, Supriyo; Edwards, Jarrod D.; Anderson, John

    2011-02-01

    The ensemble averaged spin dephasing rate of localized electrons in the organic molecule tris(8-hydroxyquinoline aluminum) or Alq3 has been found to be significantly larger in bulk powder than in single- or few-molecule clusters confined within 1-2 nm sized nanocavities [B. Kanchibotla et al., Phys. Rev. B 78, 193306 (2008)]. To understand this observation, we have compared the midinfrared absorption spectra of bulk powder and single- or few-molecule clusters. It appears that molecules have additional vibrational modes in bulk powder possibly due to multimerization. Their coupling with spin may be responsible for the increased spin dephasing rate in bulk powder.

  15. Nitroxoline (5-amino-8-hydroxyquinoline) is more a potent anti-cancer agent than clioquinol (5-chloro-7-iodo-8-quinoline)

    PubMed Central

    Jiang, Hongchao; Taggart, Jori E.; Zhang, Xiaoxi; Benbrook, Doris M.; Lind, Stuart E.; Ding, Wei-Qun

    2012-01-01

    Clioquinol has been shown to have anticancer activity both in vitro and in vivo. The present study compared the cytotoxicity of clioquinol with six analogues, using human cancer cell lines. Of the analogues tested, 8-hydroxy-5-nitroquinoline (NQ) was the most toxic, with an IC50 that was 5-10 fold lower than other congeners. Its activity was enhanced by copper, but not zinc, and the use of a zinc-sensitive fluorophore showed that unlike clioquinol, NQ is not a zinc ionophore. NQ increased intracellular reactive oxygen species generation, an effect that was significantly enhanced by the addition of copper at levels that approximate those found in human plasma. NQ has been used in humans for the treatment of urinary infections. NQ is an 8-hydroxyquinoline derivative that is more potent than the halogenated 8-hydroxyquinolines, and may be less neurotoxic because it lacks zinc ionophore activity. NQ is another clinical used anti-microbial agent whose properties suggest that it may be useful in treating cancer. PMID:21899946

  16. Solid Phase Extraction of Inorganic Mercury Using 5-Phenylazo-8-hydroxyquinoline and Determination by Cold Vapor Atomic Fluorescence Spectroscopy in Natural Water Samples

    PubMed Central

    Daye, Mirna; Halwani, Jalal; Hamzeh, Mariam

    2013-01-01

    8-Hydroxyquinoline (8-HQ) was chosen as a powerful ligand for Hg solid phase extraction. Among several chelating resins based on 8-HQ, 5-phenylazo-8-hydroxyquinoline (5Ph8HQ) is used for mercury extraction in which the adsorption dynamics were fully studied. It has been shown that Hg(II) is totally absorbed by 5Ph8HQ within the first 30 minutes of contact time with t1/2 5 minutes, following Langmuir adsorption model. At pH 4, the affinity of mercury is unchallenged by other metals except, for Cu(II), which have shown higher Kd value. With these latter characteristics, 5Ph8HQ was examined for the preconcentration of trace levels of Hg(II). The developed method showed quantitative recoveries of Hg(II) with LOD = 0.21 pg mL−1 and RSD = 3–6% using cold vapor atomic fluorescence spectroscopy (CV-AFS) with a preconcentration factor greater than 250. PMID:24459417

  17. Preconcentration and purification of rare earth elements in natural waters using silica-immobilized 8-hydroxyquinoline and a supported organophosphorus extractant

    SciTech Connect

    Esser, B.K.; Volpe, A.; Kenneally, J.M.; Smith, D.K. )

    1994-05-15

    8-Hydroxyquinoline immobilized on silica gel (silica-8HQ) and RE-Spec, a supported organophosphorus extractant, were used to preconcentrate and purify rare earth elements (REEs) from natural waters prior to their determination by isotope-dilution inductivity coupled plasma mass spectrometry (ID-ICPMS). Preconcentration onto silica-8HQ is applicable to a wide range of trace metals, making it suitable for multielement ID-ICPMS studies. The silica-8HQ, RE-Spec technique concentrates REEs from 1 L or less of water into 1 mL of salt-free 0.1% nitric acid. The technique is rapid and has high REE yields (>80%) and low REE blanks (<2[minus]6 pg). In addition, Ba separation is high, allowing determination of La and Eu by ID-<300 pg of Ba is present in the final concentrates of sample solutions initially containing > 4 [mu]g of Ba. 24 refs., 2 figs., 4 tabs.

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

    NASA Astrophysics Data System (ADS)

    Yuan, Yongbo; Lian, Jiarong; Li, Shuang; Zhou, Xiang

    2008-11-01

    Organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium (Alq3) 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 Alq3 as the mass ratio of Alq3 to ADN was varied from 1 to 50%. The devices with an optimal Alq3 mass ratio of 10 wt% showed a peak EL efficiency and an external quantum efficiency of 9.1 cd A-1 and 2.7% at a luminance of 1371 cd m-2, which is improved by a factor of 2.2 compared with 4.1 cd A-1 and 1.2% at a luminance of 3267 cd m-2 for conventional devices with the neat Alq3 as the EML.

  19. The importance of holes in aluminium tris-8-hydroxyquinoline (Alq{sub 3}) devices with Fe and NiFe contacts

    SciTech Connect

    Zhang, Hongtao; Desai, P.; Kreouzis, T.; Zhan, Y. Q.; State Key Laboratory of ASIC and System, Department of Microelectronics, SIST, Fudan University, Shanghai 200433 ; Drew, A. J.; College of Physical Science and Technology, Sichuan University, Chengdu 610064 ; Gillin, W. P.; State Key Laboratory of ASIC and System, Department of Microelectronics, SIST, Fudan University, Shanghai 200433; College of Physical Science and Technology, Sichuan University, Chengdu 610064

    2014-01-06

    To study the dominant charge carrier polarity in aluminium tris-8-hydroxyquinoline (Alq{sub 3}) based spin valves, single Alq{sub 3} layer devices with NiFe, ITO, Fe, and aluminium electrodes were fabricated and characterised by Time of Flight (ToF) and Dark Injection (DI) techniques, yielding a lower hole mobility compared to electron mobility. We compare the mobility measured by DI for the dominant carrier injected from NiFe and Fe electrodes into Alq{sub 3}, to that of holes measured by ToF. This comparison leads us to conclude that the dominant charge carriers in Alq{sub 3} based spin valves with NiFe or Fe electrodes are holes.

  20. Characterization of gold-thiol-8-hydroxyquinoline self-assembled monolayers for selective recognition of aluminum ion using voltammetry and electrochemical impedance spectroscopy.

    PubMed

    Shervedani, Reza Karimi; Rezvaninia, Zeinab; Sabzyan, Hassan; Boeini, Hassan Zali

    2014-05-12

    Gold electrode surface is modified via covalent attachment of a synthesized thiol functionalized with 8-hydroxyquinoline, p-((8-hydroxyquinoline)azo) benzenethiol (SHQ), for the first time. The behavior of the nanostructured electrode surface (Au-SHQ) is characterized by electrochemical techniques including cyclic and differential pulse voltammetry (CV and DPV), and electrochemical impedance spectroscopy (EIS). The modified surface is stable in a wide range of potentials and pHs. A surface pKa of 6.0±0.1 is obtained for Au-SHQ electrode using surface acid/base titration curves constructed by CV and EIS measurements as a function of pH. These results helped to determine the charge state of the surface as a function of pH. The gold modified electrode surface showed good affinity for sensing the Al(III) ion at pH 5.5. The sensing process is based on (i) accumulation and complex formation between Al(III) from the solution phase and 8HQ function on the Au electrode surface (recognition step) and (ii) monitoring the impedance of the Au-SHQ-Al(III) complex against redox reaction rate of parabenzoquinone (PBQ) (signal transduction step). The PBQ is found to be a more suitable probe for this purpose, after testing several others. Thus, the sensor was tested for quantitative determination of Al(III) from the solution phase. At the optimized conditions, a linear response, from 1.0×10(-11) to 1.2×10(-5) M Al(III) in semi-logarithmic scale, with a detection limit of 8.32×10(-12) M and mean relative standard deviation of 3.2% for n=3 at 1.0×10(-7) M Al(III) is obtained. Possible interferences from coexisting cations and anions are also studied. The results show that many ions do not interfere significantly with the sensor response for Al(III). Validity of the method and applicability of the sensor are successfully tested by determination of Al(III) in human blood serum samples. PMID:24767148

  1. Preconcentration of cobalt with 8-hydroxyquinoline and gas chromatographic stationary phase Chromosorb 105 and its determination by graphite furnace atomic absorption spectrometry.

    PubMed

    Cai, Yaqi; Jiang, Guibin; Liu, Jingfu

    2002-07-19

    This paper presents a study of the adsorption characteristics of a commercially available GC stationary phase Chromosorb 105 for Co(2+), which can be successfully applied to the preconcentration of Co(2+) in water samples followed by GFAAS determination. After reacting with 8-hydroxyquinoline to form a complex at pH 8.0, Co(2+) in water can be retained on a minicolumn packed with Chromosorb 105 and eluted with 2.5 ml of a mixture of ethanol and 2 moll(-1) HNO(3) (2+1, v/v). The recoveries of Co(2+) from 200 ml of tap water, river water and bottled natural mineral water samples are quantitative. Conditions for quantitative and reproducible preconcentration, elution and subsequent GFAAS determination were studied. A highly sensitive, simple method for preconcentration and GFAAS determination of trace amount of cobalt in natural water samples using a Chromosorb 105 packed minicolumn has been proposed. The high retention efficiency ( approximately 95%) for Co(2+) provides a sensitivity enhancement of 80 for a 200 ml sample volume with a detection limit of 13.4 ngl(-1) (3sigma) and a quantification limit of 44.5 ngl(-1) (10sigma). PMID:18968723

  2. Synthesis, spectroscopic, thermal, voltammetric studies and biological activity of crystalline complexes of pyridine-2,6-dicarboxylic acid and 8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Çolak, Alper Tolga; Çolak, Ferdağ; Yeşilel, Okan Zafer; Büyükgüngör, Orhan

    2009-11-01

    Two new compounds (8-H 2Q) 2[M(dipic) 2]·6H 2O (M = Co ( 1) and Ni ( 2), 8-HQ = 8-hydroxyquinoline, dipic = dipicolinate) have been prepared and characterized by elemental analysis, spectral (IR and UV-vis), thermal analyses, magnetic measurements and single-crystal X-ray diffraction techniques. Both 1 and 2 consist two 8-hydroxyquinolinium cations, one bis(dipicolinate)M(II) anion [M = Co(II), Ni(II)] and six uncoordinated water molecules. Both 1 and 2 crystallize in the monoclinic space group C2/c. In the compounds anion, each dipic ligand simultaneously exhibits tridentate coordination modes through N atom of pyridine ring and oxygen atoms of the carboxylate groups. The crystal packing of 1 and 2 is a composite of intermolecular hydrogen bonding and C-O⋯π interactions. The in vitro antibacterial and antifungal activities of 1 and 2 were evaluated by the agar well diffusion method by MIC tests. Both new compounds showed the same antimicrobial activity against Gram-positive bacteria and yeast and fungi expect Gram-negative bacteria.

  3. TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: Key role of the excited-state hydrogen-bond strengthening

    NASA Astrophysics Data System (ADS)

    Lan, Sheng-Cheng; Liu, Yu-Hui

    2015-03-01

    Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been employed to study the excited-state intramolecular proton transfer (ESIPT) reaction of 8-hydroxyquinoline (8HQ). Infrared spectra of 8HQ in both the ground and the lowest singlet excited states have been calculated, revealing a red-shift of the hydroxyl group (-OH) stretching band in the excited state. Hence, the intramolecular hydrogen bond (O-H···N) in 8HQ would be significantly strengthened upon photo-excitation to the S1 state. As the intramolecular proton-transfer reaction occurs through hydrogen bonding, the ESIPT reaction of 8HQ is effectively facilitated by strengthening of the electronic excited-state hydrogen bond (O-H···N). As a result, the intramolecular proton-transfer reaction would occur on an ultrafast timescale with a negligible barrier in the calculated potential energy curve for the ESIPT reaction. Therefore, although the intramolecular proton-transfer reaction is not favorable in the ground state, the ESIPT process is feasible in the excited state. Finally, we have identified that radiationless deactivation via internal conversion (IC) becomes the main dissipative channel for 8HQ by analyzing the energy gaps between the S1 and S0 states for the enol and keto forms.

  4. TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: key role of the excited-state hydrogen-bond strengthening.

    PubMed

    Lan, Sheng-Cheng; Liu, Yu-Hui

    2015-03-15

    Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been employed to study the excited-state intramolecular proton transfer (ESIPT) reaction of 8-hydroxyquinoline (8HQ). Infrared spectra of 8HQ in both the ground and the lowest singlet excited states have been calculated, revealing a red-shift of the hydroxyl group (-OH) stretching band in the excited state. Hence, the intramolecular hydrogen bond (O-H···N) in 8HQ would be significantly strengthened upon photo-excitation to the S1 state. As the intramolecular proton-transfer reaction occurs through hydrogen bonding, the ESIPT reaction of 8HQ is effectively facilitated by strengthening of the electronic excited-state hydrogen bond (O-H···N). As a result, the intramolecular proton-transfer reaction would occur on an ultrafast timescale with a negligible barrier in the calculated potential energy curve for the ESIPT reaction. Therefore, although the intramolecular proton-transfer reaction is not favorable in the ground state, the ESIPT process is feasible in the excited state. Finally, we have identified that radiationless deactivation via internal conversion (IC) becomes the main dissipative channel for 8HQ by analyzing the energy gaps between the S1 and S0 states for the enol and keto forms. PMID:25554951

  5. Differential pulse polarographic determination of poly(8-hydroxyquinoline) in the presence and absence of an insulating poly(vinyl alcohol) matrix.

    PubMed

    Kamal, Mostafa M; Ahmed, Seddique M; Shahata, Mohamed M; Temerk, Yassien M

    2002-04-01

    The electrochemical activity of poly(8-hydroxyquinoline) (PHQ) in acid and alkaline media has been investigated by use of differential pulse polarography (DPP). The reduction peak height (I(p)) of PHQ in universal buffer solutions is not useful as an analytical signal, because it is highly affected by hydrogen evolution in acid media and appears as a small peak located at more negative potential values in alkaline media. A new and highly sensitive reduction peak (E(p)=-0.45, pH 9.25) appears, however, after addition of trace amounts of PHQ to Cu(II), or vice versa. This reduction peak is a result of the reduction of Cu(II) chelates in the PHQ-Cu(II) complex and is highly promising for the trace determination of PHQ at nanomolar and submicromolar levels. The response current (I(p)/mu A) for the reduction peak of Cu(II) chelates in a PHQ-Cu(II) matrix results in sensitivity to the concentration of PHQ at least three orders of magnitude higher than that for the reduction peak of PHQ alone under the same conditions. The limit of detection is as low as 5.264 ppb (microg L(-1)). The effect of a variety of anions and cations and of an insulating poly(vinyl alcohol) (PVA) matrix has been investigated. Electroactive PHQ-Cu(II) at a level of 0.685% could induce a current of approximately 240 nA in an insulating PVA matrix, suggesting possible application for the preparation of a PHQ-Cu(II)-PVA electroactive composite. PMID:12012200

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

    PubMed

    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. PMID:26827866

  7. Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.

    PubMed

    Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong

    2015-11-21

    A new family of lanthanide complexes, [Ln2(hfac)4L2] (Ln = Eu (1), Gd (2), Tb (3), Dy (4), Ho (5), Er (6), Lu (7); hfac = hexafluoroacetylacetonate, HL = 2-(2′-benzothiazole)-8-hydroxyquinoline), was synthesized and characterized using single-crystal X-ray diffraction, elemental analysis (EA), thermal gravimetric analysis (TGA), powder X-ray diffraction (PXRD) and UV-vis spectra. X-ray crystallographic analyses reveal that 1–7 are isomorphous and crystallize in the monoclinic space group C2/c. In these dinuclear complexes, each LnШ ion is eight-coordinated with two bidentate hfac and two μ-phenol bridging L ligands. The TGA results show that the complexes have relatively high thermal stabilities. Complexes 1 and 3 show the characteristic transitions of the corresponding lanthanide ions with ligand-related emission peaks. Meanwhile, complexes 4 and 7 exhibit ligand-centered fluorescence at room temperature. Magnetic measurements were carried out on complexes 2–6. The magnetic study reveals that 2 displays a magnetocaloric effect, with a maximum −ΔSm value of 16.89 J K−1 kg−1 at 2 K for ΔH = 8 T. Dynamic magnetic studies reveal single-molecule magnet (SMM) behavior for complex 4. Fitting the dynamic magnetic data to the Arrhenius law gives an energy barrier ΔE/kB = 50.33 K and pre-exponential factor τ0 = 1.05 × 10(-8)s. PMID:26466301

  8. Highly sensitive gold nanoparticles-based optical sensing of DNA hybridization using bis(8-hydroxyquinoline-5-solphonate)cerium(III) chloride as a novel fluorescence probe.

    PubMed

    Shamsipur, Mojtaba; Memari, Zahra; Ganjali, Mohammad Reza; Norouzi, Parviz; Faridbod, Farnoush

    2016-01-25

    A simple and sensitive method for the detection of DNA hybridization in a homogeneous format was developed, using bis(8-hydroxyquinoline-5-solphonate)cerium(III) chloride (Ce(QS)2Cl) as a novel fluorescent probe. The method is based on fluorescence quenching by gold nanoparticles used as both nanoscafolds for the immobilization of the probe DNA sequence, which is related to Alicyclobacillus acidophilus strain TA-67 16S ribosomal RNA, and nanoquenchers of the Ce(QS)2Cl probe. The probe DNA-functionalized GNPs were synthesized by derivatizing the colloidal gold nanoparticles solution with 3-thiolated 16-base oligonucleotides. Addition of sequence-specific target DNAs (16 bases) into the mixture containing probe DNA-functionalized GNPs and fluorescent probe lead to the quenching of Ce(QS)2Cl fluorescence at 360 nm (λex=270 nm), due to DNA hybridization, the resulting quenched intensity being proportional to the concentration of target DNA. Under optimal conditions of pH 7.4 and Ce(QS)2Cl concentration of 1.0 × 10(-7) M, the linear dynamic range found to be 1.0 × 10(-10)-3.0 × 10(-8) M DNA, with a limit of detection of 7.0 × 10(-11) M. The interaction mechanism for the binding of Ce(QS)2Cl to DNA was studied in detail, and results proved that the interaction mode between Ce(QS)2Cl and DNA is groove binding, with a binding constant of 1.0 × 10(5) M(-1). PMID:26600117

  9. 8-Hydroxyquinoline-based inhibitors of the Rce1 protease disrupt Ras membrane localization in human cells.

    PubMed

    Mohammed, Idrees; Hampton, Shahienaz E; Ashall, Louise; Hildebrandt, Emily R; Kutlik, Robert A; Manandhar, Surya P; Floyd, Brandon J; Smith, Haley E; Dozier, Jonathan K; Distefano, Mark D; Schmidt, Walter K; Dore, Timothy M

    2016-01-15

    Ras converting enzyme 1 (Rce1) is an endoprotease that catalyzes processing of the C-terminus of Ras protein by removing -aaX from the CaaX motif. The activity of Rce1 is crucial for proper localization of Ras to the plasma membrane where it functions. Ras is responsible for transmitting signals related to cell proliferation, cell cycle progression, and apoptosis. The disregulation of these pathways due to constitutively active oncogenic Ras can ultimately lead to cancer. Ras, its effectors and regulators, and the enzymes that are involved in its maturation process are all targets for anti-cancer therapeutics. Key enzymes required for Ras maturation and localization are the farnesyltransferase (FTase), Rce1, and isoprenylcysteine carboxyl methyltransferase (ICMT). Among these proteins, the physiological role of Rce1 in regulating Ras and other CaaX proteins has not been fully explored. Small-molecule inhibitors of Rce1 could be useful as chemical biology tools to understand further the downstream impact of Rce1 on Ras function and serve as potential leads for cancer therapeutics. Structure-activity relationship (SAR) analysis of a previously reported Rce1 inhibitor, NSC1011, has been performed to generate a new library of Rce1 inhibitors. The new inhibitors caused a reduction in Rce1 in vitro activity, exhibited low cell toxicity, and induced mislocalization of EGFP-Ras from the plasma membrane in human colon carcinoma cells giving rise to a phenotype similar to that observed with siRNA knockdowns of Rce1 expression. Several of the new inhibitors were more effective at mislocalizing K-Ras compared to a potent farnesyltransferase inhibitor (FTI), which is significant because of the preponderance of K-Ras mutations in cancer. PMID:26706114

  10. Conversion of tris(8-quinolinolato-N1, O8) aluminum to 8-hydroxyquinoline and activity in bacterial reverse mutation assays.

    PubMed

    English, J Caroline; Roser, Kurt S; Mecchi, Michael

    2005-04-01

    Tris(8-quinolinolato-N1, O8) aluminum (AlQ), an aluminum chelate of 8-hydroxyquinoline (8OHQ) is an important charge transfer molecule in semiconducting imaging devices. This study was conducted to evaluate AlQ and 8OHQ for the ability to induce reverse mutations, either in the presence or absence of mammalian microsomal enzymes, and to determine if AlQ decomposes or is metabolized to 8OHQ under assay conditions. The tester strains used in the mutation assay were Salmonella typhimurium TA98, TA100, TA1535 and TA1537 and Escherichia coli WP2uvrA (pKM101). The assays were conducted in the presence and absence of S9. AlQ doses were 1-1000 microg per plate while 8OHQ doses were 0.947-947 microg per plate to maintain molar equivalency. Stability studies were carried out for 4h at 37 degrees C under conditions designed to mimic mutation assays. Samples were analyzed by HPLC and LC/MS to tentatively identify potential metabolites of AlQ and 8OHQ. The results of the bacterial mutagenicity assay indicate that in the presence of S9, both AlQ and 8OHQ, caused increases in the mean number of revertants per plate with tester strains TA100 and WP2uvrA (pKM101). No increases were observed with any of the remaining tester strain/activation condition combinations. The stability study showed that AlQ degrades readily to 8OHQ under standard mutagenicity test conditions, and the positive test result with AlQ is due to the bioactivation of 8OHQ. In the presence of S9, 8OHQ is metabolized to one detectable product with molecular weight indicative of a one-oxygen insertion. 8OHQ N-oxide and 2,8-quinolinediol were ruled out as possible metabolites; 8OHQ epoxides and other quinolinediols were neither confirmed nor ruled out. Bacterial mutagenicity tests have not been shown to predict in vivo effects of 8OHQ; these assays are similarly expected to be poorly predictive of in vivo genotoxic and carcinogenic potential of AlQ. PMID:15781215

  11. Structural modification utilizing beam elements

    NASA Technical Reports Server (NTRS)

    Elliott, K. B.; Mitchell, L. D.

    1987-01-01

    A method for analyzing the effects of sophisticated beam-type structural modifications to a structure with a known modal database is presented. The modification technique integrates the dual modal space modification method with the transfer matrix method to perform general beam modifications. Consideration is given to two examples: one demonstrates the performance of the modification scheme when a severe structural change is made, while the other demonstrates a change to a complex structure.

  12. On-line preconcentration/determination of cadmium in drinking water on activated carbon using 8-hydroxyquinoline in a flow injection system coupled to an inductively coupled plasma optical emission spectrometer

    NASA Astrophysics Data System (ADS)

    Cerutti, S.; Silva, M. F.; Gásquez, J. A.; Olsina, R. A.; Martinez, L. D.

    2003-01-01

    An on-line cadmium preconcentration and determination system implemented with inductively coupled plasma optical emission spectrometry associated to flow injection was studied. Cadmium was retained as Cd-8-hydroxyquinoline complex at pH 10.0. The cadmium complex was removed from the conical minicolumn packed with activated carbon with 20% (v/v) nitric acid. An enrichment factor of 80-fold for a sample volume of 50 ml was obtained. The detection limit (DL) value for the preconcentration of 50 ml of sample was 18 ng l -1. The relative standard deviation was 2.5%, calculated from the peak heights obtained. The calibration graph using the preconcentration system for cadmium was linear with a correlation coefficient of 0.9995 at levels near the DLs up to at least 100 ng ml -1. The method was successfully applied to the determination of total cadmium in drinking water samples.

  13. Analytical performance of a lab-made concomitant metal analyzer to generate volatile species of Ag, Au, Cd, Cu, Ni, Sn and Zn using 8-hydroxyquinoline as a reaction media.

    PubMed

    Villanueva-Alonso, Julia; Peña-Vázquez, Elena; Bermejo-Barrera, Pilar

    2012-10-15

    This study evaluated the main parameters affecting Ag, Au, Cd, Cu, Ni, Sn and Zn vapor generation using a lab-made concomitant metal analyzer (CMA) as a reaction chamber and gas-liquid separator. The modifier used in the reaction media was 8-hydroxyquinoline, and Inductively-Coupled Plasma Optical Emission Spectrometry was used as detection technique. The performance of the lab-made concomitant analyzer was compared with the performance of a continuous flow gas-liquid separator and of a cyclonic spray chamber. Standards were prepared in acid media and included 1 mg L(-1) of Co as a catalyzer. The optimum concentrations of the reagents in the standards were: 450 mg L(-1) of 8-hydroxyquinoline and 0.4 M nitric acid. The optimum concentration of sodium borohydride to generate the vapors was 2.25% (w/v) (prepared in 0.4% (w/v) NaOH). The volatile species were swept from the CMA to the torch by an argon flow of 0.6 mL min(-1). The use of the CMA led to an improvement of the detection limits for some elements compared to conventional nebulization: 1.1 μg L(-1) for Ag, 7.0 μg L(-1) for Au and 4.3 μg L(-1) for Sn. The limit of detection for Cu was 1.4 μg L(-1) and for Ni 22.5 μg L(-1). The direct mixing of the reagents on the spray chamber was not effective for Cd and Zn; a deviation of the linearity was observed for these elements. PMID:23141310

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

    PubMed

    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. PMID:26575324

  15. Structural design utilizing updated, approximate sensitivity derivatives

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1993-01-01

    A method to improve the computational efficiency of structural optimization algorithms is investigated. In this method, the calculations of 'exact' sensitivity derivatives of constraint functions are performed only at selected iterations during the optimization process. The sensitivity derivatives utilized within other iterations are approximate derivatives which are calculated using an inexpensive derivative update formula. Optimization results are presented for an analytic optimization problem (i.e., one having simple polynomial expressions for the objective and constraint functions) and for two structural optimization problems. The structural optimization results indicate that up to a factor of three improvement in computation time is possible when using the updated sensitivity derivatives.

  16. The Urinary Antibiotic 5-Nitro-8-Hydroxyquinoline (Nitroxoline) Reduces the Formation and Induces the Dispersal of Pseudomonas aeruginosa Biofilms by Chelation of Iron and Zinc

    PubMed Central

    Klinger, M.; Hermann, B.; Sachse, S.; Nietzsche, S.; Makarewicz, O.; Keller, P. M.; Pfister, W.; Straube, E.

    2012-01-01

    Since cations have been reported as essential regulators of biofilm, we investigated the potential of the broad-spectrum antimicrobial and cation-chelator nitroxoline as an antibiofilm agent. Biofilm mass synthesis was reduced by up to 80% at sub-MIC nitroxoline concentrations in Pseudomonas aeruginosa, and structures formed were reticulate rather than compact. In preformed biofilms, viable cell counts were reduced by 4 logs at therapeutic concentrations. Complexation of iron and zinc was demonstrated to underlie nitroxoline's potent antibiofilm activity. PMID:22926564

  17. The urinary antibiotic 5-nitro-8-hydroxyquinoline (Nitroxoline) reduces the formation and induces the dispersal of Pseudomonas aeruginosa biofilms by chelation of iron and zinc.

    PubMed

    Sobke, A; Klinger, M; Hermann, B; Sachse, S; Nietzsche, S; Makarewicz, O; Keller, P M; Pfister, W; Straube, E

    2012-11-01

    Since cations have been reported as essential regulators of biofilm, we investigated the potential of the broad-spectrum antimicrobial and cation-chelator nitroxoline as an antibiofilm agent. Biofilm mass synthesis was reduced by up to 80% at sub-MIC nitroxoline concentrations in Pseudomonas aeruginosa, and structures formed were reticulate rather than compact. In preformed biofilms, viable cell counts were reduced by 4 logs at therapeutic concentrations. Complexation of iron and zinc was demonstrated to underlie nitroxoline's potent antibiofilm activity. PMID:22926564

  18. CoFe2O4 nano-particles functionalized with 8-hydroxyquinoline for dispersive solid-phase micro-extraction and direct fluorometric monitoring of aluminum in human serum and water samples.

    PubMed

    Abdolmohammad-Zadeh, Hossein; Rahimpour, Elaheh

    2015-06-30

    A simple dispersive solid-phase micro-extraction method based on CoFe2O4 nano-particles (NPs) functionalized with 8-hydroxyquinoline (8-HQ) with the aid of sodium dodecyl sulfate (SDS) was developed for separation of Al(III) ions from aqueous solutions. Al(III) ions are separated at pH 7 via complex formation with 8-HQ using the functionalized CoFe2O4 nano-particles sol solution as a dispersed solid-phase extractor. The separated analyte is directly quantified by a spectrofluorometric method at 370nm excitation and 506nm emission wavelengths. A comparison of the fluorescence of Al(III)-8-HQ complex in bulk solution and that of Al(III) ion interacted with 8-HQ/SDS/CoFe2O4 NPs revealed a nearly 5-fold improvement in intensity. The experimental factors influencing the separation and in situ monitoring of the analyte were optimized. Under these conditions, the calibration graph was linear in the range of 0.1-300ngmL(-1) with a correlation coefficient of 0.9986. The limit of detection and limit of quantification were 0.03ngmL(-1) and 0.10ngmL(-1), respectively. The inter-day and intra-day relative standard deviations for six replicate determinations of 150ngmL(-1) Al(III) ion were 2.8% and 1.7%, respectively. The method was successfully applied to direct determine Al(III) ion in various human serum and water samples. PMID:26041520

  19. Spacecraft hazard avoidance utilizing structured light

    NASA Technical Reports Server (NTRS)

    Liebe, Carl Christian; Padgett, Curtis; Chapsky, Jacob; Wilson, Daniel; Brown, Kenneth; Jerebets, Sergei; Goldberg, Hannah; Schroeder, Jeffrey

    2006-01-01

    At JPL, a <5 kg free-flying micro-inspector spacecraft is being designed for host-vehicle inspection. The spacecraft includes a hazard avoidance sensor to navigate relative to the vehicle being inspected. Structured light was selected for hazard avoidance because of its low mass and cost. Structured light is a method of remote sensing 3-dimensional structure of the proximity utilizing a laser, a grating, and a single regular APS camera. The laser beam is split into 400 different beams by a grating to form a regular spaced grid of laser beams that are projected into the field of view of an APS camera. The laser source and the APS camera are separated forming the base of a triangle. The distance to all beam intersections of the host are calculated based on triangulation.

  20. Organic light-emitting devices with a mixture emitting layer of tris-(8-hydroxyquinoline) aluminum and 4,4'-bis(carbazol-9-yl)-biphenyl

    NASA Astrophysics Data System (ADS)

    Chen, B. J.; Sun, X. W.; Sarma, K. R.

    2006-06-01

    Organic light-emitting devices with a mixture of tris-(8-hydroxyqunoline) aluminum (Alq3) and 4,4'-bis(carbazol-9-yl)-biphenyl (CBP) as the emitting layer have been fabricated. The devices were fabricated in the same run with a standard device without CBP for comparison, with an identical structure of indium tin oxide (ITO)/m-MTDATA (80nm)/NPB (20nm)/CBP:Alq3 (40nm)/BCP (10nm)/Alq3 (60nm)/Mg:Ag (200nm), where m-MTDATA is 4,4',4?-tris(N-3-methylphenyl-N-phenyl-amino) triphenylamine, which is used to improve hole injection; NPB is N ,N'-di(naphth-2-yl)-N ,N'-diphenyl-benzidine; and BCP is 2,9-Dimethyl-4,7-diphenyl-1,110-phenanthorline. The ratio of CBP to Alq3 in mixture was varied from 0 to 2. For device with a ratio of 0.5, the current efficiency and power efficiency were significantly improved by 35% and 32%, respectively, compared to the standard device with Alq3 only as emitting layer. By increasing the ratio to 2, the current efficiency and power efficiency were dropped by 20% and 11%, respectively. The electroluminescence spectra showed a slight blueshift with the increase of CBP to Alq3 ratio.

  1. A structural design decomposition method utilizing substructuring

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1994-01-01

    A new method of design decomposition for structural analysis and optimization is described. For this method, the structure is divided into substructures where each substructure has its structural response described by a structural-response subproblem, and its structural sizing determined from a structural-sizing subproblem. The structural responses of substructures that have rigid body modes when separated from the remainder of the structure are further decomposed into displacements that have no rigid body components, and a set of rigid body modes. The structural-response subproblems are linked together through forces determined within a structural-sizing coordination subproblem which also determines the magnitude of any rigid body displacements. Structural-sizing subproblems having constraints local to the substructures are linked together through penalty terms that are determined by a structural-sizing coordination subproblem. All the substructure structural-response subproblems are totally decoupled from each other, as are all the substructure structural-sizing subproblems, thus there is significant potential for use of parallel solution methods for these subproblems.

  2. The Causal Structure of Utility Conditionals

    ERIC Educational Resources Information Center

    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 both is valued by some agents.…

  3. Improving resource utilization in hierarchy network by optimizing topological structure

    NASA Astrophysics Data System (ADS)

    Liu, G. L.; Peng, H. P.; Li, L. X.; Sun, F.; Yang, Y. X.

    2012-02-01

    We study the performance of peer-to-peer (P2P) network built on the top of hierarchy topological structure of local area networks (LAN). We find that the topological structure of the underlying physical network has significant impacts on the resource utilization of the P2P overlay network. The larger size of the physical network is, the lower resource utilization of the overlay network is. Through optimizing the topological structure of physical network, we propose two novel schemes to improve the resource utilization. The experimental results show that in any case the resource utilization of P2P network can always achieve 100% by these two schemes.

  4. Large platform assembler non-structural system requirements. [installing utilities

    NASA Technical Reports Server (NTRS)

    Vernon, R. M.

    1981-01-01

    The impact on the design and operation of an automated structure assembler of requiring the assembler to also install the platform electrical and/or fluid utility circuits was examined. Possible utility requirements were defined and examined in conjunction with the automated assembler. Preliminary concepts are presented which permit the electrical and fluid circuits to be installed with the structural elements.

  5. Utilization of structural steel in buildings.

    PubMed

    Moynihan, Muiris C; Allwood, Julian M

    2014-08-01

    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. PMID:25104911

  6. Utilization of structural steel in buildings

    PubMed Central

    Moynihan, Muiris C.; Allwood, Julian M.

    2014-01-01

    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. PMID:25104911

  7. Utilization of Protein Crystal Structures in Industry

    NASA Astrophysics Data System (ADS)

    Ishikawa, Kohki

    In industry, protein crystallography is used in mainly two technologies. One is structure-based drug design, and the other is structure-based enzyme engineering. Some successful cases together with recent advances are presented in this article. The cases include the development of an anti-influenza drug, and the introduction of engineered acid phosphatase to the manufacturing process of nucleotides used as umami seasoning.

  8. Utilization survey of prototype structural test article

    NASA Technical Reports Server (NTRS)

    Baber, S.; Mcdaniel, H. M.; Berry, M. J.

    1974-01-01

    A survey was conducted of six aerospace companies and two NASA agencies to determine how prototype structural test articles are used in flight operations. The prototype structures are airframes and similar devices which are used for testing and generally are not flown. The survey indicated the following: (1) prototype test articles are not being discarded after development testing is complete, but are used for other purposes, (2) only two cases of prototypes being refurbished and flown were identified, (3) protective devices and inspection techniques are available to prevent or minimize test article damage, (4) substitute programs from design verification are availabel in lieu of using prototype structural articles, and (5) there is a trend away from dedicated test articles. Four options based on these study results were identified to reduce test and hardware costs without compromising reliability of the flight program.

  9. UAV sensor platforms utilizing pressurized structures technology

    NASA Astrophysics Data System (ADS)

    Edge, Harris L.

    2009-05-01

    Several areas of unmanned aerial vehicle (UAV) performance need to be improved for the next generation of UAVs to be used successfully in expanded future combat roles. This paper describes the initial research to improve the performance of UAVs through the use of pressurized structures-based (PSB) technologies. Basically, the UAV will be constructed in such a way that a considerable percentage of its weight will be supported by or composed of inflatable structures containing air or helium. PSB technology will reduce the amount of energy required to keep the UAV aloft thus allowing the use of smaller, slower, and quieter motors. Using PSB technology in tandem with improving technologies in electronics, energy storage, and materials should provide a substantial increase over current UAV performance in areas of need to the military.

  10. Proceedings: Avian Interactions with Utility Structures. International Workshop

    SciTech Connect

    Not Available

    1993-12-01

    The first international workshop on Avian Interactions with Utility Structures featured an exchange of information on the impact of utility structures on avian populations. EPRI cosponsored the workshop with the Avian Power Line Interaction Committee (APLIC), formed in 1988 and designed to share data and experience regarding avian interactions with utility structures. The workshop -- held September 13--16, 1992 in Miami-welcomed engineers, scientists, academic researchers, and representatives from conservation and special interest groups. Attendees from 10 countries presented 28 papers that provide a basis for understanding and establishing new research directions to reduce bird mortality due to collisions and electrocutions. Papers highlighted advances in technology and analysis tools, the geographic extent of the problem, and regulatory needs of utilities and other interested parties involved in preventing and mitigating avian/power line interaction problems.

  11. Dynamic and structural control utilizing smart materials and structures

    NASA Technical Reports Server (NTRS)

    Rogers, C. A.; Robertshaw, H. H.

    1989-01-01

    An account is given of several novel 'smart material' structural control concepts that are currently under development. The thrust of these investigations is the evolution of intelligent materials and structures superceding the recently defined variable-geometry trusses and shape memory alloy-reinforced composites; the substances envisioned will be able to autonomously evaluate emergent environmental conditions and adapt to them, and even change their operational objectives. While until now the primary objective of the developmental efforts presently discussed has been materials that mimic biological functions, entirely novel concepts may be formulated in due course.

  12. The aerospace thermal model (HFLUX): Its structure and utility

    NASA Astrophysics Data System (ADS)

    Dodd, J. K.

    1980-12-01

    A one dimensional model of the boundary layer (HFLUX) developed at Penn State by Carlson and Boland to simulate the behavior of the ground temperature over complex terrain has been modified by The Aerospace Corporation for use in several field experiments that require the accurate prediction of the surface radiometric temperature as a function of surface (thermal inertia, albedo, and moisture availability) and meteorological (stability and wind speed) parameters. HFLUX has demonstrated its utility for use with a broad class of remote thermal imaging problems. The physical principles upon which the model is structured, a discussion of recent work with the Aerospace model, and future developmental objectives are included in this report.

  13. Utilizing the Structure and Content Information for XML Document Clustering

    NASA Astrophysics Data System (ADS)

    Tran, Tien; Kutty, Sangeetha; Nayak, Richi

    This paper reports on the experiments and results of a clustering approach used in the INEX 2008 document mining challenge. The clustering approach utilizes both the structure and content information of the Wikipedia XML document collection. A latent semantic kernel (LSK) is used to measure the semantic similarity between XML documents based on their content features. The construction of a latent semantic kernel involves the computing of singular vector decomposition (SVD). On a large feature space matrix, the computation of SVD is very expensive in terms of time and memory requirements. Thus in this clustering approach, the dimension of the document space of a term-document matrix is reduced before performing SVD. The document space reduction is based on the common structural information of the Wikipedia XML document collection. The proposed clustering approach has shown to be effective on the Wikipedia collection in the INEX 2008 document mining challenge.

  14. Study on the structure and luminescence properties of the coordinated ZnO crystallites

    NASA Astrophysics Data System (ADS)

    Chen, Qian-huo; Liu, Qing; Li, Qing; Sheng, Yu; Zhang, Wen-gong

    2013-10-01

    The coordinated ZnO nanoparticles and crystallites have been produced by focused pulsed laser ablation of ZnO target submerged in the ethanol solution of 8-hydroxyquinoline. The structure of the nanoparticles was characterized by high-resolution transmission electron microscopy (HRTEM). The ZnO crystallites properties were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), thermogravimetric analysis coupled to differential scanning calorimetry (TG/DSC), X-ray photoelectron spectroscopy (XPS) and luminescence spectrometry. The results show the surface Zn2+ ions of the ZnO nanoparticles are coordinated by the 8-hydroxyquinoline. The crystal class and the space group of the coordinated ZnO crystallites are triclinic and P-1(2), respectively. The lattice parameters are refined to a=1.1904 nm, b=1.2135 nm, c=0.8586 nm, α=108.28∘, β=100.27∘ and γ=85.50∘, respectively. The coordinated ZnO crystallites have better thermo stability than bis(8-hydroxyquinoline)zinc and can emit yellow-green light under UV and visible radiations.

  15. Vibration Based Structural Health Monitoring for Utility Scale Wind Turbines

    NASA Astrophysics Data System (ADS)

    Bassett, Kyle

    Structural health monitoring (SHM) is a process of implementing a damage detection strategy for a mechanical system. Wind turbine machinery stands to benefit from SHM significantly as the ability to detect early stages of damage before serious malfunction or collapse reduces the overall operating costs of wind power projects. Vibration analysis of dynamic structural response is an approach to SHM that has been successfully applied to mechanical and civil systems and shows promise for wind turbine application due to availability of instruments, ease of installation, and overall affordability. This study presents the development of vibration based wind turbine structural health monitoring through experimental analysis of an operating wind turbine. A database of acquired vibration response signals detailing over 3 hours of turbine operation was assembled and a Daubachies 6th order wavelet was used to perform a 12 level discrete wavelet decomposition such that general trends and patterns within the signals could be identified. After determining response behavior of a healthy turbine, a novel vibration based SHM scheme is developed based on findings from experimental work. Specific interest has been paid to monitoring yaw and braking systems as they have been identified as problematic. With further development this vibration scheme can be applied by wind farm operators to reduce downtime and failure frequency of utility scale wind turbines.

  16. Design of intelligent mesoscale periodic array structures utilizing smart hydrogel

    NASA Technical Reports Server (NTRS)

    Sunkara, H. B.; Penn, B. G.; Frazier, D. O.; Weissman, J. M.; Asher, S. A.

    1996-01-01

    Mesoscale Periodic Array Structures (MPAS, also known as crystalline colloidal arrays), composed of aqueous or nonaqueous dispersions of self-assembled submicron colloidal spheres are emerging toward the development of advanced optical devices for technological applications. This is because of their unique optical diffraction properties and the ease with which these intriguing properties can be modulated experimentally. Moreover our recent advancements in this area which include 'locking' the liquid MPAS into solid or semisolid polymer matrices for greater stability with longer life span, and incorporation of CdS quantum dots and laser dyes into colloidal spheres to obtain nonlinear optical (NLO) responses further corroborate the use of MPAS in optical technology. Our long term goal is fabrication of all-optical and electro-optical devices such as spatial light modulators for optical signal processing and flat panel display devices by utilizing intelligent nonlinear periodic array structural materials. Here we show further progress in the design of novel linear MPAS which have the ability to sense and respond to an external source such as temperature. This is achieved by combining the self-assembly properties of polymer colloidal spheres and thermoshrinking properties of smart polymer gels. At selected temperatures the periodic array efficiently Bragg diffracts light and transmits most of the light at other temperatures. Hence these intelligent systems are of potential use as fixed notch filters optical switches or limiters to protect delicate optical sensors from high intensity laser radiation.

  17. Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.

    PubMed

    Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin

    2016-05-10

    Nine dinuclear Ln(iii) complexes, [Ln(dbm)2(L)]2 (Ln = Eu (), Tb (), Dy (), Ho (), Er ()) and [Ln(dbm)2(L')]2 (Ln = Tb (), Dy (), Ho (), Er ()) (dbm = 1,3-diphenyl-1,3-propanedione, HL = 2-[[(4-methoxy-phenyl)imino]methyl]-8-hydroxy-quinoline and HL' = 2-[[(4-ethoxyphenyl)imino]methyl]-8-hydroxyquinoline) have been synthesized, and structurally and magnetically characterized. The nine complexes are all phenoxo-O bridged binuclear complexes, in which Ln1 and Ln1a are in an eight-coordinated environment bridged by two phenoxido oxygen atoms of two 8-hydroxyquinoline Schiff base ligands. Although complexes and have very similar structures, magnetic studies reveal that they exhibit different magnetic relaxation behaviors with the effective barriers (ΔE/kB) of 34.5 K for and 67.6 K for . The dissimilar dynamic magnetic behaviors of and mostly result from the different electron-donating effect induced by the two alkoxy (-OCH3 and -OC2H5) of the 8-hydroxyquinoline Schiff base ligands. Meanwhile, for complexes , , and , there are no observed magnetic relaxation behaviors under a zero dc field. In addition, the luminescence properties of , and were studied. PMID:27095548

  18. 48 CFR 36.509 - Protection of existing vegetation, structures, equipment, utilities, and improvements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... vegetation, structures, equipment, utilities, and improvements. 36.509 Section 36.509 Federal Acquisition..., utilities, and improvements. The contracting officer shall insert the clause at 52.236-9, Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements, in solicitations and...

  19. Utilization

    NASA Astrophysics Data System (ADS)

    Lu, Guozhi; Zhang, Ting-An; Zhu, Xiaofeng; Liu, Yan; Wang, Yanxiu; Guo, Fangfang; Zhao, Qiuyue; Zheng, Chaozhen

    2014-09-01

    In this study, a calcification-carbonation method is proposed to change the equilibrium structure of red mud produced from the Bayer process. The thermodynamics of both calcification and carbonation processes has been elucidated. In addition, the non-isothermal kinetics involved in the calcification process and the effects of different parameters on the hydrogarnet synthesis and carbonation decomposition are experimentally investigated using pure reagents. The results indicate that through a two-step carbonation treatment of calcified slag by the new method, the mass ratio of alumina to silica ( A/S) of the modified red mud has decreased to 0.44 and the Na2O content drops to 0.12 wt.% at the carbonation temperature of 120°C under the CO2 pressure of 1.2 MPa. The newly modified red mud could be directly used in the cement industry.

  20. Structure of the electric utility industry, 1990. Final report

    SciTech Connect

    Penner, P.S.

    1980-04-01

    A vector of normalized inputs to a hypothetical 1990 electric-utility industry is created. Inputs and outputs from the industry are all considered as homogeneous components of Bureau of Economic Analysis (BEA) economic sectors at approximately the 2-digit (83-sector) level of aggregation. While the sector definitions are BEA-compatible, the vector is created at a 90-sector level of detail for use within the Energy Research Group (ERG) energy input-output model. The vector is listed as ERGELIN. The normalized vector of depreciation capital inputs is stored as ELINDEP. The sum of the two is the final depreciation-corrected vector of 1990 electric-utility industry inputs and is stored as EGELIND. All vectors have units Btu/Btue (1st five sectors) and $1967 per million Btue.

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

    SciTech Connect

    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).

  2. Criteria for recognition of bedding structures utilizing imaging devices

    SciTech Connect

    Fett, T. )

    1990-09-01

    Wireline logs, especially dipmeter imaging devices, can bridge the gap between the wealth of outcrop and recent information about bedding structures and the immense data base available from mineral industry boreholes. The recognition of bedding structures as observed in ancient and recent exposures is not always straightforward with wireline measurements. A major strength of outcrop studies is their two- and sometimes three-dimensional aspect and the availability of very fine details. A strength of wireline measurements is their great abundance. Wireline logs provide a variety of petrophysical information, including lithology The dipmeter provides much finer detail (down to 1 cm or less in the case of imaging devices) and the information is three-dimensional. With remarkable detail, the microresistivity imaging devices can delineate and precisely orient bedding surfaces and hence bedding structures. The nature of contacts (abrupt, tangential) and of surfaces (planar, wavy), as well as the size and shape of objects are routinely available. Lithology, texture, and other sedimentary features such as cross-bedding (trough and planar), slumping, bioturbation, graded beds, erosional contacts, lag, etc., are seen. Image workstations are greatly facilitating the recognition of bedding structures from wireline microresistivity images. The synergistic merging of the wealth of information available from field studies with this type of quantitative detail, available from boreholes, offers great opportunity for defining sedimentary structures and depositional environments and hence for delineating reservoirs.

  3. Materials and structure synergistic with in-space materials utilization

    NASA Astrophysics Data System (ADS)

    Ramohalli, Kumar; Shadman, Farhang; Sridhar, K. R.

    The significant advances made recently toward actual hardware realizations of various concepts for the application of in-space materials utilization (ISMU) are demonstrated. The overall plan for taking innovative concepts through technical feasibility, small-scale tests, scale-up, computer modeling, and larger-scale execution is outlined. Two specific fields of endeavor are surveyed: one has direct applications to construction on the moon, while the other has more basic implications, in addition to the practical aspects of lunar colonies. Several fundamental scientific advances made in the characterization of the physical and chemical processes that need to be elucidated for any intelligent application of the ISMU concepts in future space missions are described. A rigorous quantitative technique for the unambiguous evaluation of various components and component technology that form any space (or terrestrial mission) is also described.

  4. Design of intelligent mesoscale periodic array structures utilizing smart hydrogel

    SciTech Connect

    Sunkara, H.B.; Penn, B.G.; Frazier, D.O.

    1996-10-01

    Intelligent mesoscale periodic array structures have been designed by combining the self-assembly properties of monodisperse polymer colloidal spheres with thermoshrinking properties of crosslinked poly(N-isopropylacrylamide) hydrogels. The periodic array structures dispersed in aqueous medium are very sensitive to environmental stimuli such as temperature and ionic species. These systems displayed dramatic and reversible optical responses against changes in temperature due to the spatial modulation in the index of refraction of the get spheres in the lattice. Precisely selecting a temperature, the diffraction efficiencies of this system can be turned on-off. The intelligent structures can be used in optical devices to protect optical sensors from high intensity lasers, and will of use in advanced optical device applications.

  5. Utilization of Refractory Metals and Alloys in Fusion Reactor Structures

    NASA Astrophysics Data System (ADS)

    Übeyli, Mustafa; Yalçın, Şenay

    2006-12-01

    In design of fusion reactors, structural material selection is very crucial to improve reactor's performance. Different types of materials have been proposed for use in fusion reactor structures. Among these materials, refractory metals and alloys having capability to withstand high temperatures and high neutron wall loads have been considered to get high power density in fusion reactors. However, these materials have insufficient technological database and are very expensive compared to steels. In addition to that, except chromium and some chromium alloys they show no low activation property. This study gives an overview of potential of refractory metals and alloys for possible use in fusion reactors.

  6. The ''optimal'' structure of the deregulated electric utility industry

    SciTech Connect

    Switzer, Sheldon; Trout, Jeffrey P.

    2007-07-15

    The optimal structure is one that does not adopt policies that interfere with competitive markets nor create price incentives or subsidies to serve special interests in an attempt to artificially stimulate retail competition. It needs to recognize that the ''natural monopoly'' and public interest criteria still require the regulation of delivery service. (author)

  7. Possibility of utilization directing structures in river revitalization

    NASA Astrophysics Data System (ADS)

    lezingr, M.; Synkov, J.; Foltnov, L.; Uhmannov, H.

    2010-09-01

    Directing and concentrating structures are mainly used on water courses with unstable channels and major sediment transport or in areas with major bank erosion. The main purpose of these structures is to redirect water flow from the stressed and very often eroded bank to the centre of the channel or other parts of the channel, where the water flow may be used, e.g., for dispersion of unsuitable deposits before its eventual stabilization by natural succession. Another important goal is to achieve a desired change in a stream channel by using the transporting power of the water flow and targeted deposition of any sediment. The area of a deflecting structure, a so-called hydraulic shadow, also appears where sediment is deposited (deflector). The objective is to achieve the deposition of sediments at desired places in the stream. It is possible to design a whole range of suitable or less suitable types of flow deflectors. In our article, we will particularly focus on problems of revitalizing a water course; i.e., the design of structures from biological or biotechnical elements for channel stabilization.

  8. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structures: Preprint

    SciTech Connect

    Ruth, Mark; Pratt, Annabelle; Lunacek, Monte; Mittal, Saurabh; Wu, Hongyu; Jones, Wesley

    2015-07-17

    The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is poorly 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 tariff to estimate economic and physical impacts on both the households and the distribution utilities. HEMS reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Household savings are greater than the reduction utility net revenue indicating that HEMS can provide a societal benefit providing tariffs are structured so that utilities remain solvent. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices and resulting in a higher peak load.

  9. Method for Molding Structural Parts Utilizing Modified Silicone Rubber

    NASA Technical Reports Server (NTRS)

    Weiser, Erik S. (Inventor); Baucom, Robert M. (Inventor); Snoha, John J. (Inventor)

    1998-01-01

    This invention improves upon a method for molding structural parts from preform material. Preform material to be used for the part is provided. A silicone rubber composition containing entrained air voids is prepared. The silicone rubber and preform material assembly is situated within a rigid mold cavity used to shape the preform material to die desired shape. The entire assembly is heated in a standard heating device so that the thermal expansion of the silicone rubber exerts the pressure necessary to force the preform material into contact with the mold container. The introduction of discrete air voids into the silicone rubber allows for accurately controlled pressure application on the preform material at the cure temperature.

  10. Utilization of multimode surface wave dispersion for characterizing roadbed structure

    NASA Astrophysics Data System (ADS)

    Song, Xianhai; Gu, Hanming

    2007-10-01

    Accurate measurement of shear (S)-wave velocity in a roadbed subsurface with a velocity reversal is crucial as well as challenging. A high frequency Rayleigh wave survey was carried out on a roadbed site from Henan, China to determine S-wave velocities to approximately 15 m depth. The phase shift approach was used to directly construct a high-resolution image of multimode dispersion curves in the frequency-velocity ( f- v) domain from a multi-channel raw shot gather with a high signal-to-noise (S/N) ratio. The measured fundamental and two higher-mode dispersion curves were then inverted by genetic algorithms to reconstruct the fine structure of the tested roadbed subsurface. Our case study demonstrates that an inversion performed with only fundamental mode data with a limited resolution and a high degree of error may yield an unrealistic model. A better agreement with direct borehole measurements, however, is obtained when the second-mode data are inverted simultaneously with the fundamental mode data, which clearly reveals a 1-m thick softer soil layer between two stiff soil layers in the tested roadbed. A higher accuracy S-wave velocity profile is achieved by simultaneously incorporating the three modes of data into the inversion process. This representative case study highlights advantages of fully exploiting intrinsic multimodal properties of Rayleigh waves and greatly enhances our confidence of accurately imaging and characterizing a complex subsurface.

  11. Investigation of Coronal Large Scale Structures Utilizing Spartan 201 Data

    NASA Technical Reports Server (NTRS)

    Guhathakurta, Madhulika

    1998-01-01

    Two telescopes aboard Spartan 201, a small satellite has been launched from the Space Shuttles, on April 8th, 1993, September 8th, 1994, September 7th, 1995 and November 20th, 1997. The main objective of the mission was to answer some of the most fundamental unanswered questions of solar physics-What accelerates the solar wind and what heats the corona? The two telescopes are 1) Ultraviolet Coronal Spectrometer (UVCS) provided by the Smithsonian Astrophysical Observatory which uses ultraviolet emissions from neutral hydrogen and ions in the corona to determine velocities of the coronal plasma within the solar wind source region, and the temperature and density distributions of protons and 2) White Light Coronagraph (WLC) provided by NASA's Goddard Space Flight Center which measures visible light to determine the density distribution of coronal electrons within the same region. The PI has had the primary responsibility in the development and application of computer codes necessary for scientific data analysis activities, end instrument calibration for the white-light coronagraph for the entire Spartan mission. The PI was responsible for the science output from the WLC instrument. PI has also been involved in the investigation of coronal density distributions in large-scale structures by use of numerical models which are (mathematically) sufficient to reproduce the details of the observed brightness and polarized brightness distributions found in SPARTAN 201 data.

  12. Family Structure Types and Adequate Utilization of Antenatal Care in Kenya.

    PubMed

    Owili, Patrick Opiyo; Muga, Miriam Adoyo; Chou, Yiing-Jenq; Hsu, Yi-Hsin Elsa; Huang, Nicole; Chien, Li-Yin

    2016-01-01

    Features of the health care delivery system may not be the only expounding factors of adequate utilization of antenatal care among women. Other social factors such as the family structure and its environment contribute toward pregnant women's utilization of antenatal care. An understanding of how women in different family structure types and social groups use basic maternal health services is important toward developing and implementing maternal health care policy in the post-Millennium Development Goal era, especially in the sub-Saharan Africa where maternal mortality still remains high. PMID:27214674

  13. Study on utilization of advanced composites in commercial aircraft wing structures, volume 2

    NASA Technical Reports Server (NTRS)

    Sakata, I. F.; Ostrom, R. B.

    1978-01-01

    A plan is defined for a composite wing development effort which will assist commercial transport manufacturers in reaching a level of technology readiness where the utilization of composite wing structure is a cost competitive option for a new aircraft production plan. The recommended development effort consists of two programs: a joint government/industry material development program and a wing structure development program. Both programs are described in detail.

  14. 48 CFR 36.509 - Protection of existing vegetation, structures, equipment, utilities, and improvements.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 1 2013-10-01 2013-10-01 false Protection of existing vegetation, structures, equipment, utilities, and improvements. 36.509 Section 36.509 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION SPECIAL CATEGORIES OF CONTRACTING CONSTRUCTION AND ARCHITECT-ENGINEER CONTRACTS Contract...

  15. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 2 2014-10-01 2014-10-01 false Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements. 52.236-9 Section 52.236-9 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION (CONTINUED) CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text of...

  16. Assessment of Multiple Physician Competencies in Postgraduate Training: Utility of the Structured Oral Examination

    ERIC Educational Resources Information Center

    Jefferies, Ann; Simmons, Brian; Ng, Eugene; Skidmore, Martin

    2011-01-01

    Competency based medical education involves assessing physicians-in-training in multiple roles. Training programs are challenged by the need to introduce appropriate yet feasible assessment methods. We therefore examined the utility of a structured oral examination (SOE) in the assessment of the 7 CanMEDS roles (Medical Expert, Communicator,

  17. Assessment of Multiple Physician Competencies in Postgraduate Training: Utility of the Structured Oral Examination

    ERIC Educational Resources Information Center

    Jefferies, Ann; Simmons, Brian; Ng, Eugene; Skidmore, Martin

    2011-01-01

    Competency based medical education involves assessing physicians-in-training in multiple roles. Training programs are challenged by the need to introduce appropriate yet feasible assessment methods. We therefore examined the utility of a structured oral examination (SOE) in the assessment of the 7 CanMEDS roles (Medical Expert, Communicator,…

  18. Advances in template-based protein docking by utilizing interfaces towards completing structural interactome.

    PubMed

    Muratcioglu, Serena; Guven-Maiorov, Emine; Keskin, Özlem; Gursoy, Attila

    2015-12-01

    The increase in the number of structurally determined protein complexes strengthens template-based docking (TBD) methods for modelling protein-protein interactions (PPIs). These methods utilize the known structures of protein complexes as templates to predict the quaternary structure of the target proteins. The templates may be partial or complete structures. Interface based (partial) methods have recently gained interest due in part to the observation that the interface regions are reusable. We describe how available template interfaces can be used to obtain the structural models of protein interactions. Despite the agreement that a majority of the protein complexes can be modelled using the available Protein Data Bank (PDB) structures, a handful of studies argue that we need more template proteins to increase the structural coverage of PPIs. We also discuss the performance of the interface TBD methods at large scale, and the significance of capturing multiple conformations for improving accuracy. PMID:26539658

  19. Impacts of Commercial Electric Utility Rate Structure Elements on the Economics of Photovoltaic Systems

    SciTech Connect

    Ong, S.; Denholm, P.; Doris, E.

    2010-06-01

    This analysis uses simulated building data, simulated solar photovoltaic (PV) data, and actual electric utility tariff data from 25 cities to understand better the impacts of different commercial rate structures on the value of solar PV systems. By analyzing and comparing 55 unique rate structures across the United States, this study seeks to identify the rate components that have the greatest effect on the value of PV systems. Understanding the beneficial components of utility tariffs can both assist decision makers in choosing appropriate rate structures and influence the development of rates that favor the deployment of PV systems. Results from this analysis show that a PV system's value decreases with increasing demand charges. Findings also indicate that time-of-use rate structures with peaks coincident with PV production and wide ranges between on- and off-peak prices most benefit the types of buildings and PV systems simulated. By analyzing a broad set of rate structures from across the United States, this analysis provides an insight into the range of impacts that current U.S. rate structures have on PV systems.

  20. Effects of a major earthquake on the PEP housing, structures, and utilities

    SciTech Connect

    Weidner, H.

    1990-08-01

    The PEP tunnel, above-ground structures, and utility structures have been designed to withstand a major earthquake. This means they will experience minor or moderate damage in an earthquake which will cause widespread devastation in the surrounding region. The earthquake on October 17, 1989, which was not very severe locally, caused no damage to the PEP tunnel, buildings, or utilities. There was apparently some permanent displacement of the PEP tunnel. The PEP ring magnets moved enough to require re-alignment. A major earthquake will probably cause sufficient displacement of the PEP tunnel and magnet systems to necessitate extensive re-alignment. This may be the dominant factor determining the length of the shutdown after the quake.

  1. Nuclear electric propulsion system utilization for earth orbit transfer of large spacecraft structures

    NASA Technical Reports Server (NTRS)

    Silva, T. H.; Byers, D. C.

    1980-01-01

    The paper discusses a potential application of electric propulsion to perform orbit transfer of a large spacecraft structure to geosynchronous orbit (GEO) from LEO, utilizing a nuclear reactor space power source in the spacecraft on a shared basis. The discussions include spacecraft, thrust system, and nuclear reactor space power system concepts. Emphasis is placed on orbiter payload arrangements, spacecraft launch constraints, and spacecraft LEO assembly and deployment sequences.

  2. A study on the utilization of advanced composites in commercial aircraft wing structure

    NASA Technical Reports Server (NTRS)

    Watts, D. J.

    1978-01-01

    A study was conducted to define the technology and data needed to support the introduction of advanced composite materials in the wing structure of future production aircraft. The study accomplished the following: (1) definition of acceptance factors, (2) identification of technology issues, (3) evaluation of six candidate wing structures, (4) evaluation of five program options, (5) definition of a composite wing technology development plan, (6) identification of full-scale tests, (7) estimation of program costs for the total development plan, (8) forecast of future utilization of composites in commercial transport aircraft and (9) identification of critical technologies for timely program planning.

  3. Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.

    PubMed

    Knez, Damijan; Brus, Boris; Coquelle, Nicolas; Sosič, Izidor; Šink, Roman; Brazzolotto, Xavier; Mravljak, Janez; Colletier, Jacques-Philippe; Gobec, Stanislav

    2015-08-01

    Tremendous efforts have been dedicated to the development of effective therapeutics against Alzheimer's disease, which represents the most common debilitating neurodegenerative disease. Multifunctional agents are molecules designed to have simultaneous effects on different pathological processes. Such compounds represent an emerging strategy for the development of effective treatments against Alzheimer's disease. Here, we report on the synthesis and biological evaluation of a series of nitroxoline-based analogs that were designed by merging the scaffold of 8-hydroxyquinoline with that of a known selective butyrylcholinesterase inhibitor that has promising anti-Alzheimer properties. Most strikingly, compound 8g inhibits self-induced aggregation of the amyloid beta peptide (Aβ1-42), inhibits with sub-micromolar potency butyrylcholinesterase (IC50=215 nM), and also selectively complexes Cu(2+). Our study thus designates this compound as a promising multifunctional agent for therapeutic treatment of Alzheimer's disease. The crystal structure of human butyrylcholinesterase in complex with compound 8g is also solved, which suggests ways to further optimize compounds featuring the 8-hydroxyquinoline scaffold. PMID:26116179

  4. Amazon forest structure generates diurnal and seasonal variability in light utilization

    NASA Astrophysics Data System (ADS)

    Morton, D. C.; Rubio, J.; Cook, B. D.; Gastellu-Etchegorry, J.-P.; Longo, M.; Choi, H.; Hunter, M. O.; Keller, M.

    2015-12-01

    The complex three-dimensional (3-D) structure of tropical forests generates a diversity of light environments for canopy and understory trees. Understanding diurnal and seasonal changes in light availability is critical for interpreting measurements of net ecosystem exchange and improving ecosystem models. Here, we used the Discrete Anisotropic Radiative Transfer (DART) model to simulate leaf absorption of photosynthetically active radiation (lAPAR) for an Amazon forest. The 3-D model scene was developed from airborne lidar data, and local measurements of leaf reflectance, aerosols, and PAR were used to model lAPAR under direct and diffuse illumination conditions. Simulated lAPAR under clear sky and cloudy conditions was corrected for light saturation effects to estimate light utilization, the fraction of lAPAR available for photosynthesis. Although the fraction of incoming PAR absorbed by leaves was consistent throughout the year (0.80-0.82), light utilization varied seasonally (0.67-0.74), with minimum values during the Amazon dry season. Shadowing and light saturation effects moderated potential gains in forest productivity from increasing PAR during dry season months when the diffuse fraction from clouds and aerosols was low. Comparisons between DART and other models highlighted the role of 3-D forest structure to account for seasonal changes in light utilization. Our findings highlight how directional illumination and forest 3-D structure combine to influence diurnal and seasonal variability in light utilization, independent of further changes in leaf area, leaf age, or environmental controls on canopy photosynthesis. Changing illumination geometry constitutes an alternative biophysical explanation for observed seasonality in Amazon forest productivity without changes in canopy phenology.

  5. Amazon forest structure generates diurnal and seasonal variability in light utilization

    NASA Astrophysics Data System (ADS)

    Morton, Douglas C.; Rubio, Jérémy; Cook, Bruce D.; Gastellu-Etchegorry, Jean-Philippe; Longo, Marcos; Choi, Hyeungu; Hunter, Maria; Keller, Michael

    2016-04-01

    The complex three-dimensional (3-D) structure of tropical forests generates a diversity of light environments for canopy and understory trees. Understanding diurnal and seasonal changes in light availability is critical for interpreting measurements of net ecosystem exchange and improving ecosystem models. Here, we used the Discrete Anisotropic Radiative Transfer (DART) model to simulate leaf absorption of photosynthetically active radiation (lAPAR) for an Amazon forest. The 3-D model scene was developed from airborne lidar data, and local measurements of leaf reflectance, aerosols, and PAR were used to model lAPAR under direct and diffuse illumination conditions. Simulated lAPAR under clear-sky and cloudy conditions was corrected for light saturation effects to estimate light utilization, the fraction of lAPAR available for photosynthesis. Although the fraction of incoming PAR absorbed by leaves was consistent throughout the year (0.80-0.82), light utilization varied seasonally (0.67-0.74), with minimum values during the Amazon dry season. Shadowing and light saturation effects moderated potential gains in forest productivity from increasing PAR during dry-season months when the diffuse fraction from clouds and aerosols was low. Comparisons between DART and other models highlighted the role of 3-D forest structure to account for seasonal changes in light utilization. Our findings highlight how directional illumination and forest 3-D structure combine to influence diurnal and seasonal variability in light utilization, independent of further changes in leaf area, leaf age, or environmental controls on canopy photosynthesis. Changing illumination geometry constitutes an alternative biophysical explanation for observed seasonality in Amazon forest productivity without changes in canopy phenology.

  6. Finite element prediction of seismic response modification of monumental structures utilizing base isolation

    NASA Astrophysics Data System (ADS)

    Spanos, Konstantinos; Anifantis, Nikolaos; Kakavas, Panayiotis

    2015-05-01

    The analysis of the mechanical behavior of ancient structures is an essential engineering task concerning the preservation of architectural heritage. As many monuments of classical antiquity are located in regions of earthquake activity, the safety assessment of these structures, as well as the selection of possible restoration interventions, requires numerical models capable of correctly representing their seismic response. The work presented herein was part of a research project in which a better understanding of the dynamics of classical column-architrave structures was sought by means of numerical techniques. In this paper, the seismic behavior of ancient monumental structures with multi-drum classical columns is investigated. In particular, the column-architrave classical structure under strong ground excitations was represented by a finite element method. This approach simulates the individual rock blocks as distinct rigid blocks interconnected with slidelines and incorporates seismic isolation dampers under the basement of the structure. Sliding and rocking motions of individual stone blocks and drums are modeled utilizing non-linear frictional contact conditions. The seismic isolation is modeled through the application of pad bearings under the basement of the structure. These pads are interpreted by appropriate rubber and steel layers. Time domain analyses were performed, considering the geometric and material non-linear behavior at the joints and the characteristics of pad bearings. The deformation and failure modes of drum columns subject to seismic excitations of various types and intensities were analyzed. The adverse influence of drum imperfections on structural safety was also examined.

  7. Integrating models and data to estimate the structural reliability of utility poles during hurricanes.

    PubMed

    Han, Seung-Ryong; Rosowsky, David; Guikema, Seth

    2014-06-01

    Utility systems such as power and communication systems regularly experience significant damage and loss of service during hurricanes. A primary damage mode for these systems is failure of wooden utility poles that support conductors and communication lines. In this article, we present an approach for combining structural reliability models for utility poles with observed data on pole performance during past hurricanes. This approach, based on Bayesian updating, starts from an imperfect but informative prior and updates this prior with observed performance data. We consider flexural and foundation failure mechanisms in the prior, acknowledging that these are an incomplete, but still informative, subset of the possible failure mechanisms for utility poles during hurricanes. We show how a model-based prior can be updated with observed failure data, using pole failure data from Hurricane Katrina as a case study. The results of this integration of model-based estimates and observed performance data then offer a more informative starting point for power system performance estimation for hurricane conditions. PMID:23952685

  8. RTMPL: A structured programming and documentation utility for real-time multiprocessor simulations

    NASA Technical Reports Server (NTRS)

    Arpasi, D. J.

    1984-01-01

    The NASA Lewis Research Center is developing and evaluating experimental hardware and software systems to help meet future needs for real time simulations of air-breathing propulsion systems. The Real Time Multiprocessor Simulator (RTMPS) project is aimed at developing a prototype simulator system that uses multiple microprocessors to achieve the desired computing speed and accuracy at relatively low cost. Software utilities are being developed to provide engineering-level programming and interactive operation of the simulator. Two major software development efforts were undertaken in the RTMPS project. A real time multiprocessor operating system was developed to provide for interactive operation of the simulator. The second effort was aimed at developing a structured, high-level, engineering-oriented programming language and translator that would facilitate the programming of the simulator. The Real Time Multiprocessor Programming Language (RTMPL) allows the user to describe simulation tasks for each processor in a straight-forward, structured manner. The RTMPL utility acts as an assembly language programmer, translating the high-level simulation description into time-efficient assembly language code for the processors. The utility sets up all of the interfaces between the simulator hardware, firmware, and operating system.

  9. Study on utilization of advanced composites in fuselage structures of large transports

    NASA Technical Reports Server (NTRS)

    Johnson, R. W.; Thomson, L. W.; Wilson, R. D.

    1985-01-01

    The potential for utilizing advanced composites in fuselage structures of large transports was assessed. Six fuselage design concepts were selected and evaluated in terms of structural performance, weight, and manufacturing development and costs. Two concepts were selected that merit further consideration for composite fuselage application. These concepts are: (1) a full depth honeycomb design with no stringers, and (2) an I section stringer stiffened laminate skin design. Weight reductions due to applying composites to the fuselages of commercial and military transports were calculated. The benefits of applying composites to a fleet of military transports were determined. Significant technology issues pertinent to composite fuselage structures were identified and evaluated. Program plans for resolving the technology issues were developed.

  10. The Utility of Structural Family Therapy Nomenclature: Between-Clinician Agreement in the Conjoint Family Assessment Interview.

    ERIC Educational Resources Information Center

    O'Sullivan, Sean; And Others

    1984-01-01

    Explores the reliability of the categories used to describe family structure in structural family therapy. Five clinicians independently rated three initial conjoint family interviews. Results are discussed in terms of their demonstration of the utility of the structural nonmenclature, some conceptual problems in the structural nomenclature, and…

  11. Sonochemical synthesis of new nano-two-dimensional lead(II) coordination polymer: As precursor for preparation of PbO nano-structure

    NASA Astrophysics Data System (ADS)

    Fard, Mohammad Jaafar Soltanian; Rastaghi, Fatemeh; Ghanbari, Najmeh

    2013-01-01

    Nano-structure of a new 2D double-chain lead(II) coordination polymer, [Pb2(μ-N3)(μ-NO3)L2]n (1), HL = 8-hydroxyquinolin ligand was synthesized by a sonochemical method. The new nano-structure was characterized by scanning electron microscopy, X-ray powder diffraction, IR spectroscopy and elemental analyses. The structure of compound 1 was determined by single-crystal X-ray diffraction and consists of 2D double-chain polymeric units. The coordination number in compound 1 is five and each lead atom is coordinated by one oxygen atom of NO3- anion, one nitrogen atom of 8-hydroxyquinolin ligand, two oxygen atoms of OH group of ligand and one nitrogen atom of N3- anion. The thermal stability of compound 1 was studied by thermal gravimetric and differential thermal analyses (TGA and DTA). Calcination of the nanocompound 1 at 400 °C under air atmospheres yielded nano-sized particles of PbO that characterized by scanning electron microscopy and X-ray powder diffraction.

  12. Process Developed for Fabricating Engineered Pore Structures for High- Fuel-Utilization Solid Oxide Fuel Cells

    NASA Technical Reports Server (NTRS)

    Sofie, Stephen W.; Cable, Thomas L.; Salamone, Sam M.

    2005-01-01

    Solid oxide fuel cells (SOFCs) have tremendous commercial potential because of their high efficiency, high energy density, and flexible fuel capability (ability to use fossil fuels). The drive for high-power-utilizing, ultrathin electrolytes (less than 10 microns), has placed an increased demand on the anode to provide structural support, yet allow sufficient fuel entry for sustained power generation. Concentration polarization, a condition where the fuel demand exceeds the supply, is evident in all commercial-based anode-supported cells, and it presents a significant roadblock to SOFC commercialization.

  13. A study on the utilization of advanced composites in commercial aircraft wing structure: Executive summary

    NASA Technical Reports Server (NTRS)

    Watts, D. J.

    1978-01-01

    The overall wing study objectives are to study and plan the effort by commercial transport aircraft manufacturers to accomplish the transition from current conventional materials and practices to extensive use of advanced composites in wings of aircraft that will enter service in the 1985-1990 time period. Specific wing study objectives are to define the technology and data needed to support an aircraft manufacturer's commitment to utilize composites primary wing structure in future production aircraft and to develop plans for a composite wing technology program which will provide the needed technology and data.

  14. Costs in electric utilities in the US: A comparison of publicly-owned and privately-owned utilities in different market structures

    SciTech Connect

    Koh, D.S.

    1992-01-01

    This dissertation focuses the effects of ownership and market structure on cost in electric utilities in the U.S. and consists of three parts. The first part is a brief survey of the literature on the relative efficiency of the different types of ownership and on the relative importance of a competitive environment in attaining a successful privatization program. In the second part, the authors construct a theoretical and empirical model which can consider the relative efficiency of publicly-owned and privately-owned utilities allowing simultaneously for the impacts of ownership type, market structure and regulation. The concept is employed of shadow price rather that actual price to reflect the effect of government's regulation. The method of data construction and empirical results are presented in the third part. The estimation results indicate that privately-owned utilities are more cost efficient than publicly-owned utilities at very large output levels and are less efficient at very small output levels. Contrary to the authors' expectations, the estimates of parameters reflecting different market structure are insignificant. Estimates were also produced of economics of scale, demand, and elasticity of substitution.

  15. Attaching solar collectors to a structural framework utilizing a flexible clip

    DOEpatents

    Kruse, John S

    2014-03-25

    Methods and apparatuses described herein provide for the attachment of solar collectors to a structural framework in a solar array assembly. A flexible clip is attached to either end of each solar collector and utilized to attach the solar collector to the structural framework. The solar collectors are positioned to allow a member of the framework to engage a pair of flexible clips attached to adjacent solar collectors during assembly of the solar array. Each flexible clip may have multiple frame-engaging portions, each with a flange on one end to cause the flexible clip to deflect inward when engaged by the framework member during assembly and to guide each of the frame-engaging portions into contact with a surface of the framework member for attachment.

  16. Utilizing in-situ resources and 3D printing structures for a manned Mars mission

    NASA Astrophysics Data System (ADS)

    Kading, Benjamin; Straub, Jeremy

    2015-02-01

    This paper presents a manned Mars mission, which is based on the use of in-situ resources for the fabrication of structures. First, it provides an overview of the two-phase mission. In phase one, robotic construction units prepare a functional base for phase-two human habitation. Then, it describes a set of prospective structures that can be created utilizing additive manufacturing (commonly known as 3D printing) techniques and in situ materials. Next, the technological advancements required to allow this type of mission are considered and their feasibility is discussed. Specific focus is given to the topics of basalt 3D printing and the maintenance of the pressure environment. The process of the construction of the base is also discussed. Finally the proposed approach is analyzed through comparison to prior missions, before concluding.

  17. Utilization of the Building-Block Approach in Structural Mechanics Research

    NASA Technical Reports Server (NTRS)

    Rouse, Marshall; Jegley, Dawn C.; McGowan, David M.; Bush, Harold G.; Waters, W. Allen

    2005-01-01

    In the last 20 years NASA has worked in collaboration with industry to develop enabling technologies needed to make aircraft safer and more affordable, extend their lifetime, improve their reliability, better understand their behavior, and reduce their weight. To support these efforts, research programs starting with ideas and culminating in full-scale structural testing were conducted at the NASA Langley Research Center. Each program contained development efforts that (a) started with selecting the material system and manufacturing approach; (b) moved on to experimentation and analysis of small samples to characterize the system and quantify behavior in the presence of defects like damage and imperfections; (c) progressed on to examining larger structures to examine buckling behavior, combined loadings, and built-up structures; and (d) finally moved to complicated subcomponents and full-scale components. Each step along the way was supported by detailed analysis, including tool development, to prove that the behavior of these structures was well-understood and predictable. This approach for developing technology became known as the "building-block" approach. In the Advanced Composites Technology Program and the High Speed Research Program the building-block approach was used to develop a true understanding of the response of the structures involved through experimentation and analysis. The philosophy that if the structural response couldn't be accurately predicted, it wasn't really understood, was critical to the progression of these programs. To this end, analytical techniques including closed-form and finite elements were employed and experimentation used to verify assumptions at each step along the way. This paper presents a discussion of the utilization of the building-block approach described previously in structural mechanics research and development programs at NASA Langley Research Center. Specific examples that illustrate the use of this approach are included from recent research and development programs for both subsonic and supersonic transports.

  18. Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum

    SciTech Connect

    Srivastava, Dhiraj; Schuermann, Jonathan P.; White, Tommi A.; Krishnan, Navasona; Sanyal, Nikhilesh; Hura, Greg L.; Tan, Anmin; Henzl, Michael T.; Becker, Donald F.; Tanner, John J.

    2010-04-26

    The bifunctional proline catabolic flavoenzyme, proline utilization A (PutA), catalyzes the oxidation of proline to glutamate via the sequential activities of FAD-dependent proline dehydrogenase (PRODH) and NAD{sup +}-dependent {Delta}{sup 1}-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Although structures for some of the domains of PutA are known, a structure for the full-length protein has not previously been solved. Here we report the 2.1 {angstrom} resolution crystal structure of PutA from Bradyrhizobium japonicum, along with data from small-angle x-ray scattering, analytical ultracentrifugation, and steady-state and rapid-reaction kinetics. PutA forms a ring-shaped tetramer in solution having a diameter of 150 {angstrom}. Within each protomer, the PRODH and P5CDH active sites face each other at a distance of 41 {angstrom} and are connected by a large, irregularly shaped cavity. Kinetics measurements show that glutamate production occurs without a lag phase, suggesting that the intermediate, {Delta}{sup 1}-pyrroline-5-carboxylate, is preferably transferred to the P5CDH domain rather than released into the bulk medium. The structural and kinetic data imply that the cavity serves both as a microscopic vessel for the hydrolysis of {Delta}{sup 1}-pyrroline-5-carboxylate to glutamate semialdehyde and a protected conduit for the transport of glutamate semialdehyde to the P5CDH active site.

  19. Changes in Microbial Community Structure and Carbon Utilization Patterns in Response to Woody Encroachment into Grasslands

    NASA Astrophysics Data System (ADS)

    Creamer, C. A.; Filley, T. R.; Boutton, T. W.

    2012-12-01

    Land cover changes occurring in dryland ecosystems, such as woody encroachment, can moderate microbial activity and alter the flow of C and N between litter and soil, ultimately impacting soil organic carbon (SOC) dynamics. We analyzed the quantity and isotopic composition of microbial phospholipids along a grassland-to-woodland successional chronosequence in southern Texas to determine how microbial community structure and SOC utilization patterns responded to the extent of woody encroachment across two sampling seasons (Spring and Fall). Woody encroachment resulted in significant increases in total microbial biomass and fungal:bacterial ratios along with significant decreases in the ratio of gram-positive:gram-negative bacteria. Compound-specific 13C analysis of microbial phospholipids revealed that gram-negative bacteria and fungi were preferentially utilizing newer, C3-derived inputs, while other microbial groups generally showed no preferential incorporation of newer or older C. This preferential use of newer C in gram-negative bacteria and fungi, combined with their increasing relative abundance, reveals that these microbial groups are most responsive to biogeochemical changes elicited by woody encroachment, potentially to enhanced rhizosphere development or changes in the chemical stability of C inputs. This research provides important information regarding the links between changing plant cover, SOC accrual, and microbial activity in response to a globally relevant environmental perturbation.

  20. Synthesis and Structure of Fully Conjugated Block Copolymers Utilized in Organic Photovoltaics

    NASA Astrophysics Data System (ADS)

    Lee, Youngmin; Aplan, Melissa; Wang, Qing; Gomez, Enrique D.

    2015-03-01

    Fully conjugated block copolymers have the potential to overcome many of the limitations of mixtures and blends as photoactive layers in solar cells; furthermore, they may serve as model systems to study fundamental questions regarding optoelectric properties and charge transfer. However, the synthesis of fully conjugated block copolymers remains a challenging issue in the fieldchallenge. We have optimized the two-step synthesis of P3HT-b-PFTBT, which is composed comprised of Grignard metathesis for polymerization of P3HT followed by chain extension through a Suzuki-Miyaura polycondenstation. We find that the concentration of the Grignard reagent is critical for end-group control such that P3HT is terminated by H at one end and Br at the other. Furthermore, we can utilize an asymmetric feed ratio of monomers for the Suzuki-Miyaura reaction to minimize the amount of uncoupled homopolymers and to control the molecular weight of the second block. We investigated the chemical composition, structure and electrical characteristics of the polymers prepared by the different synthetic methods, and demonstrate that we can utilize these strategies for the synthesis of block copolymers beyond P3HT-b-PFTBT.

  1. Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17*

    PubMed Central

    Chekan, Jonathan R.; Kwon, In Hyuk; Agarwal, Vinayak; Dodd, Dylan; Revindran, Vanessa; Mackie, Roderick I.; Cann, Isaac; Nair, Satish K.

    2014-01-01

    Hemicelluloses, the polysaccharide component of plant cell walls, represent one of the most abundant biopolymers in nature. The most common hemicellulosic constituents of softwoods, such as conifers and cycads, are mannans consisting of a 1,4-linked ?-mannopyranosyl main chain with branch decorations. Efforts toward the utilization of hemicellulose for bioconversion into cellulosic biofuels have resulted in the identification of several families of glycoside hydrolases that can degrade mannan. However, effective biofermentation of manno-oligosaccharides is limited by a lack of appropriate uptake route in ethanologenic organisms. Here, we used transcriptome sequencing to gain insights into mannan degradation by the thermophilic anaerobic bacterium Caldanaerobius polysaccharolyticus. The most highly up-regulated genes during mannan fermentation occur in a cluster containing several genes encoding enzymes for efficient mannan hydrolysis as well as a solute-binding protein (CpMnBP1) that exhibits specificity for short mannose polymers but exhibited the flexibility to accommodate branched polysaccharide decorations. Co-crystal structures of CpMnBP1 in complex with mannobiose (1.4- resolution) and mannotriose (2.2- resolution) revealed the molecular rationale for chain length and oligosaccharide specificity. Calorimetric analysis of several active site variants confirmed the roles of residues critical to the function of CpMnBP1. This work represents the first biochemical characterization of a mannose-specific solute-binding protein and provides a framework for engineering mannan utilization capabilities for microbial fermentation. PMID:25342756

  2. Structural and biochemical basis for mannan utilization by Caldanaerobius polysaccharolyticus strain ATCC BAA-17.

    PubMed

    Chekan, Jonathan R; Kwon, In Hyuk; Agarwal, Vinayak; Dodd, Dylan; Revindran, Vanessa; Mackie, Roderick I; Cann, Isaac; Nair, Satish K

    2014-12-12

    Hemicelluloses, the polysaccharide component of plant cell walls, represent one of the most abundant biopolymers in nature. The most common hemicellulosic constituents of softwoods, such as conifers and cycads, are mannans consisting of a 1,4-linked ?-mannopyranosyl main chain with branch decorations. Efforts toward the utilization of hemicellulose for bioconversion into cellulosic biofuels have resulted in the identification of several families of glycoside hydrolases that can degrade mannan. However, effective biofermentation of manno-oligosaccharides is limited by a lack of appropriate uptake route in ethanologenic organisms. Here, we used transcriptome sequencing to gain insights into mannan degradation by the thermophilic anaerobic bacterium Caldanaerobius polysaccharolyticus. The most highly up-regulated genes during mannan fermentation occur in a cluster containing several genes encoding enzymes for efficient mannan hydrolysis as well as a solute-binding protein (CpMnBP1) that exhibits specificity for short mannose polymers but exhibited the flexibility to accommodate branched polysaccharide decorations. Co-crystal structures of CpMnBP1 in complex with mannobiose (1.4- resolution) and mannotriose (2.2- resolution) revealed the molecular rationale for chain length and oligosaccharide specificity. Calorimetric analysis of several active site variants confirmed the roles of residues critical to the function of CpMnBP1. This work represents the first biochemical characterization of a mannose-specific solute-binding protein and provides a framework for engineering mannan utilization capabilities for microbial fermentation. PMID:25342756

  3. Kinetic and structural characterization of tunnel-perturbing mutants in Bradyrhizobium japonicum proline utilization A.

    PubMed

    Arentson, Benjamin W; Luo, Min; Pemberton, Travis A; Tanner, John J; Becker, Donald F

    2014-08-12

    Proline utilization A from Bradyrhizobium japonicum (BjPutA) is a bifunctional flavoenzyme that catalyzes the oxidation of proline to glutamate using fused proline dehydrogenase (PRODH) and Δ(1)-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Recent crystal structures and kinetic data suggest an intramolecular channel connects the two active sites, promoting substrate channeling of the intermediate Δ(1)-pyrroline-5-carboxylate/glutamate-γ-semialdehyde (P5C/GSA). In this work, the structure of the channel was explored by inserting large side chain residues at four positions along the channel in BjPutA. Kinetic analysis of the different mutants revealed replacement of D779 with Tyr (D779Y) or Trp (D779W) significantly decreased the overall rate of the PRODH-P5CDH channeling reaction. X-ray crystal structures of D779Y and D779W revealed that the large side chains caused a constriction in the central section of the tunnel, thus likely impeding the travel of P5C/GSA in the channel. The D779Y and D779W mutants have PRODH activity similar to that of wild-type BjPutA but exhibit significantly lower P5CDH activity, suggesting that exogenous P5C/GSA enters the channel upstream of Asp779. Replacement of nearby Asp778 with Tyr (D778Y) did not impact BjPutA channeling activity. Consistent with the kinetic results, the X-ray crystal structure of D778Y shows that the main channel pathway is not impacted; however, an off-cavity pathway is closed off from the channel. These findings provide evidence that the off-cavity pathway is not essential for substrate channeling in BjPutA. PMID:25046425

  4. Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus

    PubMed Central

    Naas, A.E.; MacKenzie, A.K.; Dalhus, B.; Eijsink, V.G.H.; Pope, P.B.

    2015-01-01

    Previous gene-centric analysis of a cow rumen metagenome revealed the first potentially cellulolytic polysaccharide utilization locus, of which the main catalytic enzyme (AC2aCel5A) was identified as a glycoside hydrolase (GH) family 5 endo-cellulase. Here we present the 1.8 Å three-dimensional structure of AC2aCel5A, and characterization of its enzymatic activities. The enzyme possesses the archetypical (β/α)8-barrel found throughout the GH5 family, and contains the two strictly conserved catalytic glutamates located at the C-terminal ends of β-strands 4 and 7. The enzyme is active on insoluble cellulose and acts exclusively on linear β-(1,4)-linked glucans. Co-crystallization of a catalytically inactive mutant with substrate yielded a 2.4 Å structure showing cellotriose bound in the −3 to −1 subsites. Additional electron density was observed between Trp178 and Trp254, two residues that form a hydrophobic “clamp”, potentially interacting with sugars at the +1 and +2 subsites. The enzyme’s active-site cleft was narrower compared to the closest structural relatives, which in contrast to AC2aCel5A, are also active on xylans, mannans and/or xyloglucans. Interestingly, the structure and function of this enzyme seem adapted to less-substituted substrates such as cellulose, presumably due to the insufficient space to accommodate the side-chains of branched glucans in the active-site cleft. PMID:26133573

  5. Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A

    PubMed Central

    2015-01-01

    Proline utilization A from Bradyrhizobium japonicum (BjPutA) is a bifunctional flavoenzyme that catalyzes the oxidation of proline to glutamate using fused proline dehydrogenase (PRODH) and Δ1-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Recent crystal structures and kinetic data suggest an intramolecular channel connects the two active sites, promoting substrate channeling of the intermediate Δ1-pyrroline-5-carboxylate/glutamate-γ-semialdehyde (P5C/GSA). In this work, the structure of the channel was explored by inserting large side chain residues at four positions along the channel in BjPutA. Kinetic analysis of the different mutants revealed replacement of D779 with Tyr (D779Y) or Trp (D779W) significantly decreased the overall rate of the PRODH–P5CDH channeling reaction. X-ray crystal structures of D779Y and D779W revealed that the large side chains caused a constriction in the central section of the tunnel, thus likely impeding the travel of P5C/GSA in the channel. The D779Y and D779W mutants have PRODH activity similar to that of wild-type BjPutA but exhibit significantly lower P5CDH activity, suggesting that exogenous P5C/GSA enters the channel upstream of Asp779. Replacement of nearby Asp778 with Tyr (D778Y) did not impact BjPutA channeling activity. Consistent with the kinetic results, the X-ray crystal structure of D778Y shows that the main channel pathway is not impacted; however, an off-cavity pathway is closed off from the channel. These findings provide evidence that the off-cavity pathway is not essential for substrate channeling in BjPutA. PMID:25046425

  6. Factor Structure and Predictive Utility of the 2 x 2 Achievement Goal Model in a Sample of Taiwan Students

    ERIC Educational Resources Information Center

    Chiang, Yu-Tzu; Yeh, Yu-Chen; Lin, Sunny S. J.; Hwang, Fang-Ming

    2011-01-01

    This study examined structure and predictive utility of the 2 x 2 achievement goal model among Taiwan pre-university school students (ages 10 to 16) who learned Chinese language arts. The confirmatory factor analyses of Achievement Goal Questionnaire-Chinese version provided good fitting between the factorial and dimensional structures with the…

  7. Relations between Brain Structure and Attentional Function in Spina Bifida: Utilization of Robust Statistical Approaches

    PubMed Central

    Kulesz, Paulina A.; Tian, Siva; Juranek, Jenifer; Fletcher, Jack M.; Francis, David J.

    2015-01-01

    Objective Weak structure-function relations for brain and behavior may stem from problems in estimating these relations in small clinical samples with frequently occurring outliers. In the current project, we focused on the utility of using alternative statistics to estimate these relations. Method Fifty-four children with spina bifida meningomyelocele performed attention tasks and received MRI of the brain. Using a bootstrap sampling process, the Pearson product moment correlation was compared with four robust correlations: the percentage bend correlation, the Winsorized correlation, the skipped correlation using the Donoho-Gasko median, and the skipped correlation using the minimum volume ellipsoid estimator Results All methods yielded similar estimates of the relations between measures of brain volume and attention performance. The similarity of estimates across correlation methods suggested that the weak structure-function relations previously found in many studies are not readily attributable to the presence of outlying observations and other factors that violate the assumptions behind the Pearson correlation. Conclusions Given the difficulty of assembling large samples for brain-behavior studies, estimating correlations using multiple, robust methods may enhance the statistical conclusion validity of studies yielding small, but often clinically significant, correlations. PMID:25495830

  8. Inpatient treatment for pathological gamblers in Germany: setting, utilization, and structure.

    PubMed

    Buchner, Ursula Gisela; Erbas, Beate; Stürmer, Marco; Arnold, Melanie; Wodarz, Norbert; Wolstein, Jörg

    2015-03-01

    In Germany, there are two different approaches to inpatient treatment of pathological gambling (PG): Facilities focusing on addiction or on psychosomatic illness. However, little is known about how these differences influence utilization and structure of treatment. Therefore, in our study, we analyzed all known German gambling inpatient treatment centers concerning patients' sex, age and number of comorbid disorders and evaluated an expert assessment of the treatment system, access to treatment, and structure characteristics of inpatient treatment facilities. In 2011, 2,229 pathological gamblers were treated. This amounts to 1 % of all past-year pathological gamblers. 90 % of the patients were men, 93 % had at least one comorbid disorder. Access to treatment was mostly gained via psychosocial counseling centers, but was not readily available. Facilities with addiction departments treated less pathological gamblers per year (29.3 gamblers) than facilities with psychosomatic departments (53.3 gamblers) or with both departments (76.4 gamblers). Treatment duration was significantly longer in addiction departments treating PG as secondary diagnosis only, with a low rate of gamblers on all patients, or treating few gamblers. Some facilities specialized on PG and treated more gamblers, had a higher rate of gamblers on all patients, and offered specific treatment programs. The impact of this specialization on treatment outcome is still unclear. Although treatment numbers have risen steadily for the past years, only a small fraction of affected gamblers seek inpatient treatment. Therefore, awareness to the disease and access to treatment needs to be improved. PMID:24375259

  9. Variations in methanobactin structure influences copper utilization by methane-oxidizing bacteria.

    PubMed

    El Ghazouani, Abdelnasser; Baslé, Arnaud; Gray, Joe; Graham, David W; Firbank, Susan J; Dennison, Christopher

    2012-05-29

    Methane-oxidizing bacteria are nature's primary biological mechanism for suppressing atmospheric levels of the second-most important greenhouse gas via methane monooxygenases (MMOs). The copper-containing particulate enzyme is the most widespread and efficient MMO. Under low-copper conditions methane-oxidizing bacteria secrete the small copper-binding peptide methanobactin (mbtin) to acquire copper, but how variations in the structures of mbtins influence copper metabolism and species selection are unknown. Methanobactins have been isolated from Methylocystis strains M and hirsuta CSC1, organisms that can switch to using an iron-containing soluble MMO when copper is limiting, and the nonswitchover Methylocystis rosea. These mbtins are shorter, and have different amino acid compositions, than the characterized mbtin from Methylosinus trichosporium OB3b. A coordinating pyrazinedione ring in the Methylocystis mbtins has little influence on the Cu(I) site structure. The Methylocystis mbtins have a sulfate group that helps stabilize the Cu(I) forms, resulting in affinities of approximately 10(21) M(-1). The Cu(II) affinities vary over three orders of magnitude with reduction potentials covering approximately 250 mV, which may dictate the mechanism of intracellular copper release. Copper uptake and the switchover from using the iron-containing soluble MMO to the copper-containing particulate enzyme is faster when mediated by the native mbtin, suggesting that the amino acid sequence is important for the interaction of mbtins with receptors. The differences in structures and properties of mbtins, and their influence on copper utilization by methane-oxidizing bacteria, have important implications for the ecology and global function of these environmentally vital organisms. PMID:22582172

  10. Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design

    PubMed Central

    Massey, Andrew J.; Stokes, Stephen; Browne, Helen; Foloppe, Nicolas; Fiumana, Andreá; Scrace, Simon; Fallowfield, Mandy; Bedford, Simon; Webb, Paul; Baker, Lisa; Christie, Mark; Drysdale, Martin J.; Wood, Mike

    2015-01-01

    Chk1 kinase is a critical component of the DNA damage response checkpoint especially in cancer cells and targeting Chk1 is a potential therapeutic opportunity for potentiating the anti-tumor activity of DNA damaging chemotherapy drugs. Fragment elaboration by structure guided design was utilized to identify and develop a novel series of Chk1 inhibitors culminating in the identification of V158411, a potent ATP-competitive inhibitor of the Chk1 and Chk2 kinases. V158411 abrogated gemcitabine and camptothecin induced cell cycle checkpoints, resulting in the expected modulation of cell cycle proteins and increased cell death in cancer cells. V158411 potentiated the cytotoxicity of gemcitabine, cisplatin, SN38 and camptothecin in a variety of p53 deficient human tumor cell lines in vitro, p53 proficient cells were unaffected. In nude mice, V158411 showed minimal toxicity as a single agent and in combination with irinotecan. In tumor bearing animals, V158411 was detected at high levels in the tumor with a long elimination half-life; no pharmacologically significant in vivo drug-drug interactions with irinotecan were identified through analysis of the pharmacokinetic profiles. V158411 potentiated the anti-tumor activity of irinotecan in a variety of human colon tumor xenograft models without additional systemic toxicity. These results demonstrate the opportunity for combining V158411 with standard of care chemotherapeutic agents to potentiate the therapeutic efficacy of these agents without increasing their toxicity to normal cells. Thus, V158411 would warrant further clinical evaluation. PMID:26437226

  11. Structural and Function Correlation of Cone Packing Utilizing Adaptive Optics and Microperimetry

    PubMed Central

    Supriya, Dabir; Shwetha, Mangalesh; Kiran Anupama, Kumar; Kummelil Mathew, Kurian; Berendschot, Tos T. J. M.; Schouten, Jan S. A. G.; Bharamshetter, Roopa; Naresh, Yadav K.; Rohit, Shetty; Hegde, Bharath

    2015-01-01

    Aim. To assess the functional aspects of cone mosaic and correlate cone packing with retinal sensitivity utilizing microperimetry in emmetropes at different eccentricities. Methods. Twenty-four healthy volunteers underwent microperimetry (MAIA Centervue, Italy) and assessment of photoreceptors using adaptive optics retinal camera, rtx1 (Imagine Eyes, Orsay, France), at 2 and 3 degrees from the foveal centre in 4 quadrants: superior, inferior, temporal, and nasal. Data was analyzed using SPSS version 17 (IBM). Spearman's correlation tests were used to establish correlation between mean cone packing density and retinal sensitivity at different quadrants. Results. Thirteen females and 11 males (age range 20–40 years) were included. The cone density was found to be significantly different among all quadrants (temporal = 25786.68/mm2 ± 4367.07/mm2, superior = 23009.35/mm2 ± 5415.81/mm2, nasal = 22838.09/mm2 ± 4166.22/mm2, and inferior = 21097.53/mm2 ± 4235.84/mm2). A statistical significance (P < 0.008) was found between orthogonal meridians, that is, temporal, nasal (48624.77/mm2)> superior, inferior (44106.88/mm2). A drop in retinal sensitivity was observed as the eccentricity increased (P < 0.05). It was also found that as cone packing density decreased retinal sensitivity also decreased (P < 0.05) in all quadrants. This was observed at both 2 and 3 degrees. Conclusion. It is of crucial importance to establish normative variations in cone structure-function correlation. This may help in detection of subtle pathology and its early intervention. PMID:26167509

  12. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structure; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    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.

  13. Formation of Ordered Coronene Clusters in Template Utilizing the Structural Transformation of Hexaphenylbenzene Derivative Networks on Graphite Surface.

    PubMed

    Chang, Shaoqing; Liu, Runcong; Wang, Liancheng; Li, Min; Deng, Ke; Zheng, Qiyu; Zeng, Qingdao

    2016-01-26

    In the present work, we report the fabrication of regular coronene (COR) clusters on surfaces in ambient conditions in the two-dimensional network formed by hexaphenylbenzene derivatives (HPB) via structural transformation. HPB could form a stable snowflake network structure on the highly oriented pyrolytic graphite surface at the air-solid interface. When COR molecules were introduced into the system, the HPB snowflake network could transform to honeycomb structures, and the COR heptamers were subsequently aggregated and entrapped into the cavity. Scanning tunneling microscopic was employed to monitor the assembly behavior of both HPB and HPB/COR at a submolecule scale level, and density functional theory calculations were utilized to reveal that the structural transformation and the entrapment are the energetically favorable. The pores formed from HPB might also give a clue to immobilizing some functional molecule clusters, like COR, to fabricate their ordered monolayer in ambient conditions, so as to obtain complex supramolecular surface structures. PMID:26645374

  14. Restriction of enhanced (2-/sup 14/C)deoxyglucose utilization to rhinencephalic structures in immature amygdala-kindled rats

    SciTech Connect

    Ackermann, R.F.; Moshe, S.L.; Albala, B.J.

    1989-04-01

    Sixteen-day-old albino rat pups were kindled to varying degrees of seizure severity with amygdala stimulations spaced 15 to 20 min apart. Subsequently, each rat pup was injected (ip) with 10 microCi of (2-/sup 14/C)-deoxyglucose, and received several additional kindled seizures at regular intervals throughout the following 80 min, at which time it was killed and processed for deoxyglucose autoradiography. Increased seizure severity was associated with correspondingly increased deoxyglucose utilization in many rhinencephalic limbic structures. However, unlike adults, rat pups did not show discernibly increased neocortical, thalamic, or substantia nigra utilization. We postulate that the apparent confinement of seizure activity to limbic structures in pups is related to their relative lack of postictal seizure refractoriness, as well as to other indices of increased seizure susceptibility in immature animals.

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

    NASA Technical Reports Server (NTRS)

    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.

  16. Novel light trapping scheme for thin crystalline cells utilizing deep structures on both wafer sides

    SciTech Connect

    Jorgensen, A.M.; Clausen, T.; Leistiko, O.

    1997-12-31

    A new light trapping structure is presented with trapping capabilities comparable to or better than those of the perpendicular grooves structure. The new structure traps a larger fraction of rays for 8--80 passes than the perpendicular grooves structure. The average path length enhancement is about 62 times the average thickness. The structure consists of deep ({approximately}200 {micro}m) inverted pyramids on the front side and deep ({approximately}200 {micro}m) truncated pyramids with eight sides on the back. The structure is realized in crystalline silicon by wet chemical etching using potassium hydroxide (KOH) and isopropanol (IPA). A process for creating thin solar cells with this light trapping scheme is described. The process includes only two main photolithographic steps and features a self aligned front metallization. The process uses 250 {micro}m wafers to create cells that on average are about 70 {micro}m thick.

  17. Accounting for the Hierarchical Structure in Veterans Health Administration Data: Differences in Healthcare Utilization between Men and Women Veterans.

    PubMed

    Allore, Heather G; Ning, Yuming; Brandt, Cynthia A; Goulet, Joseph L

    2013-01-01

    Women currently constitute 15% of active United States of America military service personnel, and this proportion is expected to double in the next 5 years. Previous research has shown that healthcare utilization and costs differ in women US Veterans Health Administration (VA) patients compared to men. However, none have accounted for the potential effects of clustering on their estimates of healthcare utilization. US Women Veterans are more likely to serve in specific military branches (e.g. Army), components (e.g. National Guard), and ranks (e.g. officer) than men. These factors may confer different risk and protection that can affect subsequent healthcare needs. Our study investigates the effects of accounting for the hierarchical structure of data on estimates of the association between gender and VA healthcare utilization. The sample consisted of data on 406,406 Veterans obtained from VA's Operation Enduring Freedom/Operation Iraqi Freedom roster provided by Defense Manpower Data Center - Contingency Tracking System Deployment File. We compared three statistical models, ordinary, fixed and random effects hierarchical logistic regression, in order to assess the association of gender with healthcare utilization, controlling for branch of service, component, rank, age, race, and marital status. Gender was associated with utilization in ordinary logistic and, but not in fixed effects hierarchical logistic or random effects hierarchical logistic regression models. This point out that incomplete inference could be drawn by ignoring the military structure that may influence combat exposure and subsequent healthcare needs. Researchers should consider modeling VA data using methods that account for the potential clustering effect of hierarchy. PMID:24910720

  18. Advances in utilization of structurally integrated sensor networks for health monitoring in commercial applications

    NASA Astrophysics Data System (ADS)

    Lin, Mark; Kumar, Amrita; Qing, Xinlin; Beard, Shawn J.

    2002-07-01

    Structural health monitoring is a new technology that has been increasingly evaluated by the industry as a potential approach to improve the cost and ease of structural inspection. By improving structural inspection, structures can be made safer and more reliable, thus reducing the cost of structure ownership. Acellent Technologies is developing tools for structural health monitoring. The tools Acellent is offering are the SMART Layer and the SMART Suitcase. The SMART Layer is a flexible layer with a distributed array of piezoelectric transducers made using the printed circuit process that allows easy installation onto structures for in-situ sensing. The SMART Suitcase is an instrument that can interact with the SMART Layer and process the information collected from the structures. Acellent has been providing the system to researchers and companies to try out this new technique. Currently, this system is being evaluated by aircraft manufacturers for monitoring fatigue cracks from rivet holes, by an automotive company for inspecting flaws in composite/foam components, and by aerospace companies for detecting damages in composite/honeycomb sandwich structures. Other recent developments include the addition of fiber-optic sensors onto the SMART Layer and proving the SMART Layer for composite RTM process.

  19. Synthesis and structural characterization of a new 2-D lead(II) supramolecule: A new precursor for preparation PbO nanoparticles via thermal decomposition

    NASA Astrophysics Data System (ADS)

    Jaafar Soltanian Fard, Mohammad; Sadat Naraghi, Hakimeh

    2013-03-01

    A new lead(II) supramolecule [Pb4(μ-8-HQuin)6(NO3)2]n (1) was prepared from reaction of ligand 8-hydroxyquinolin (8-HQuin) with lead(II) acetate and sodium nitrate. The compound was characterized by elemental analysis, IR spectroscopy and structurally determined by X-ray single-crystal diffraction. The structure of compound 1 may be considered supramolecule of lead (II) that Pb(II) ions are bridged by 8-HQuin ligands forming metallocyclic chains and making two dimensional array of Pb(II) and 8-HQuin, respectively. Pure phase PbO nanoparticles were obtained by calcination of compound 1 at 400 °C under air atmosphere which was characterized by scanning electron microscopy (SEM) and X-ray powder diffraction (XRD).

  20. Assessing the utility of coevolution-based residue-residue contact predictions in a sequence- and structure-rich era.

    PubMed

    Kamisetty, Hetunandan; Ovchinnikov, Sergey; Baker, David

    2013-09-24

    Recently developed methods have shown considerable promise in predicting residue-residue contacts in protein 3D structures using evolutionary covariance information. However, these methods require large numbers of evolutionarily related sequences to robustly assess the extent of residue covariation, and the larger the protein family, the more likely that contact information is unnecessary because a reasonable model can be built based on the structure of a homolog. Here we describe a method that integrates sequence coevolution and structural context information using a pseudolikelihood approach, allowing more accurate contact predictions from fewer homologous sequences. We rigorously assess the utility of predicted contacts for protein structure prediction using large and representative sequence and structure databases from recent structure prediction experiments. We find that contact predictions are likely to be accurate when the number of aligned sequences (with sequence redundancy reduced to 90%) is greater than five times the length of the protein, and that accurate predictions are likely to be useful for structure modeling if the aligned sequences are more similar to the protein of interest than to the closest homolog of known structure. These conditions are currently met by 422 of the protein families collected in the Pfam database. PMID:24009338

  1. Confirming the Factor Structure of the Cognitive Test Anxiety Scale: Comparing the Utility of Three Solutions

    ERIC Educational Resources Information Center

    Cassady, Jerrell C.; Finch, W. Holmes

    2014-01-01

    This study validated the factor structure of a popular assessment of learner's cognitive test anxiety. Following recent findings in a study with Argentinean students' use of the Spanish version of the Cognitive Test Anxiety Scale (CTAS), this study tested the factor structure using data from 742 students who completed the original…

  2. Precise structural determination of weakly binding peptides by utilizing dihedral angle constraints.

    PubMed

    Mizukoshi, Yumiko; Nagasu, Michiko; Shimada, Ichio; Takahashi, Hideo

    2010-04-01

    Structural determination of target-bound conformations of peptides is of primary importance for the optimization of peptide ligands and peptide-mimetic design. In the structural determination of weakly binding ligands, transferred nuclear Overhauser effect (TrNOE) methods have been widely used. However, not many distance constraints can be obtained from small peptide ligands by TrNOE, especially for peptides bound to a target molecule in an extended conformation. Therefore, for precise structural determination of weakly binding peptides, additional structural constraints are required. Here, we present a strategy to systematically introduce dihedral angle constraints obtained from multiple transferred cross-correlated relaxation experiments and demonstrate precise structures of weakly binding peptides. As a result, we could determine the bioactive conformations of phage-derived peptide ligands and define their core binding motifs. PMID:20229289

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

    PubMed Central

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

    2008-01-01

    Background 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. 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. Results 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, innovation diffusion. Conclusion We conclude that the received view that social science disciplines are in a state where no accepted set of principles or theories guide research (i.e., that they are pre-paradigmatic) could not be supported for this field. Second, we document the emergence of a new domain within the knowledge utilization field, evidence-based medicine. Third, we conclude that Everett Rogers was the dominant figure in the field and, until the emergence of evidence-based medicine, his representation of the general diffusion model was the dominant paradigm in the field. PMID:19014512

  4. Utilizing of inner porous structure in injection moulds for application of special cooling method

    NASA Astrophysics Data System (ADS)

    Seidl, M.; Bobek, J.; Šafka, J.; Habr, J.; Nováková, I.; Běhálek, L.

    2016-04-01

    The article is focused on impact evaluation of controlled inner structure of production tools and new cooling method on regulation of thermal processes for injection moulding technology. The mould inserts with porous structure were cooled by means of liquid CO2 which is very progressive cooling method and enables very fast and intensive heat transfer among the plastic product, the production tool and cooling medium. The inserts were created using rapid prototype technology (DLSM) and they had a bi-component structure consisting of thin compact surface layer and defined porous inner structure of open cell character where liquid CO2 was flowing through. This analyse includes the evaluation of cooling efficiency for different inner structures and different time profiles for dosing of liquid CO2 into the porous structure. The thermal processes were monitored using thermocouples and IR thermal analyse of product surface and experimental device. Intensive heat removal influenced also the final structure and the shape and dimensional accuracy of the moulded parts that were made of semi-crystalline polymer. The range of final impacts of using intensive cooling method on the plastic parts was defined by DSC and dimensional analyses.

  5. History of biological metal utilization inferred through phylogenomic analysis of protein structures

    PubMed Central

    Dupont, Christopher L.; Butcher, Andrew; Valas, Ruben E.; Bourne, Philip E.; Caetano-Anollés, Gustavo

    2010-01-01

    The fundamental chemistry of trace elements dictates the molecular speciation and reactivity both within cells and the environment at large. Using protein structure and comparative genomics, we elucidate several major influences this chemistry has had upon biology. All of life exhibits the same proteome size-dependent scaling for the number of metal-binding proteins within a proteome. This fundamental evolutionary constant shows that the selection of one element occurs at the exclusion of another, with the eschewal of Fe for Zn and Ca being a defining feature of eukaryotic proteomes. Early life lacked both the structures required to control intracellular metal concentrations and the metal-binding proteins that catalyze electron transport and redox transformations. The development of protein structures for metal homeostasis coincided with the emergence of metal-specific structures, which predominantly bound metals abundant in the Archean ocean. Potentially, this promoted the diversification of emerging lineages of Archaea and Bacteria through the establishment of biogeochemical cycles. In contrast, structures binding Cu and Zn evolved much later, providing further evidence that environmental availability influenced the selection of the elements. The late evolving Zn-binding proteins are fundamental to eukaryotic cellular biology, and Zn bioavailability may have been a limiting factor in eukaryotic evolution. The results presented here provide an evolutionary timeline based on genomic characteristics, and key hypotheses can be tested by alternative geochemical methods. PMID:20498051

  6. Detection of spin-resolved electronic structures from a buried ferromagnetic layer utilizing forward Mott scattering

    SciTech Connect

    Ueda, S.; Mizuguchi, M.; Kojima, T.; Takanashi, K.; Ishimaru, S.; Tsujikawa, M.; Shirai, M.

    2014-03-31

    We report ultrahigh-resolution spin-resolved hard X-ray photoemission (HAXPES) for a buried FeNi alloy film. By utilizing the forward Mott scattering in a Au layer on FeNi, our spin-resolved HAXPES method does not require a standard spin detector and allows us to use the multi-channel electron detection system for the high-efficient electron detection as used in conventional photoemission spectroscopy. A combination of the forward Mott scattering and multi-channel detection leads us to measure a clear spin polarization as well as spin-resolved majority and minority states in the Fe 2p core-level spectra without using the standard spin detector. This method enables us to measure spin-resolved core-level spectra for buried ferromagnetic materials.

  7. Structural analysis of the central Columbia Plateau utilizing radar, digital topography, and magnetic data bases

    SciTech Connect

    Thiessen, R.L.; Eliason, J.R.; Johnson, L.K.; Brougher, C.W.; Foley, M.G.; Beaver, D.E.

    1988-01-01

    The geology of the central Columbia Plateau is characterized by subdued topography and limited outcrop, with most of the exposure concentrated in localized folded/faulted mountains (the Yakima folds) and along river canyons. In order to efficiently compare lineament data bases, we have written an automated computer routine that correlates lineaments that are within a user specified distance of each other. The angle between their trends has to be less than an input maximum separation angle. If more than two lineament maps exist for the area, the analyst may also specify the minimum number of times each structure must be seen. The lineament correlation routine was applied to data bases of all aeromagnetic linears as well as lineaments seen on radar and a digital elevation model image. Due to their topographic expression and associated deformation, the Yakima folds are detected by nearly all of the studies. Other features that do not correspond to known structures are detected in a number of the above data types and so are likely to have a strong structural control. Previously mapped small faults that obliquely cross the Yakima folds were identified a multiple number of times. These structures align with a set of three-dimensional planar structures identified with our unique Geologic Spatial Analysis (GSA) system. The GSA analysis is based upon computer automated detection of valley bottoms as defined by a DEM. Valley vectors which are coplanar may be controlled by a planar geologic structure whose three-dimensional orientation can be calculated by GSA routines. 58 refs., 7 figs.

  8. Prismatic sealed nickel-cadmium batteries utilizing fiber structured electrodes. I - New advances in cell design

    NASA Astrophysics Data System (ADS)

    Haschka, Friedrich; Benczur-Urmossy, Gabor; Anderman, Menahem

    Prismatic sealed Ni/Cd cells of fiber structured electrodes offer the potential to fully recharge a battery in a uniquely short time. It was demonstrated that the cells show excellent cycle life. The design is not restricted to 20 Ah rated capacity. Cells of 50 Ah have been built and tested in an electric hybrid vehicle. A specially designed ultra high-power cell of 45 Ah rated capacity for APU cranking in commerical aircraft supplies 50 percent more peak power than vented Ni/Cd sintered plate aircraft cells. The fiber structured sealed FNC-RECOM cell will not require any maintenance.

  9. Parameter and structure-activity data bases: management for maximum utility.

    PubMed Central

    Leo, A

    1985-01-01

    Quantitative structure-activity relationships (QSAR) in the fields of medicinal chemistry, pesticide science, biochemistry and toxicology are being published at an ever increasing rate. In addition to these biological correlation equations, thousands of such equations have been published for all kinds of organic reactions. There is a great need to develop a computerized system to enable one to make comparisons and to draw generalizations about the effects of structure on chemical and biological activity. A proposal is made for a systematic approach to this problem based on the physicochemical properties of organic compounds. PMID:4065069

  10. Human Cytochrome P450 1A1 Structure and Utility in Understanding Drug and Xenobiotic Metabolism*

    PubMed Central

    Walsh, Agnes A.; Szklarz, Grazyna D.; Scott, Emily E.

    2013-01-01

    Cytochrome P450 (CYP) 1A1 is an extrahepatic monooxygenase involved in the metabolism of endogenous substrates and drugs, as well as the activation of certain toxins and environmental pollutants. CYP1A1 is particularly well known for its ability to biotransform polycyclic aromatic hydrocarbons, such as benzo[a]pyrene in tobacco smoke, into carcinogens. CYP1A1 possesses functional similarities and differences with human CYP1A2 and CYP1B1 enzymes, but the structural basis for this has been unclear. We determined a 2.6 Å structure of human CYP1A1 with the inhibitor α-naphthoflavone. α-Naphthoflavone binds within an enclosed active site, with the planar benzochromen-4-one core packed flat against the I helix that composes one wall of the active site, and the 2-phenyl substituent oriented toward the catalytic heme iron. Comparisons with previously determined structures of the related cytochrome P450 1A2 and 1B1 enzymes reveal distinct features among the active sites that may underlie the functional variability of these enzymes. Finally, docking studies probed the ability of CYP1A structures to assist in understanding their known in vitro interactions with several typical substrates and inhibitors. PMID:23508959

  11. Biochemical and Structural Insights into Xylan Utilization by the Thermophilic Bacterium Caldanaerobius polysaccharolyticus*

    PubMed Central

    Han, Yejun; Agarwal, Vinayak; Dodd, Dylan; Kim, Jason; Bae, Brian; Mackie, Roderick I.; Nair, Satish K.; Cann, Isaac K. O.

    2012-01-01

    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-? resolution. Analysis of the biochemical data in the context of the co-crystal structure reveals the molecular underpinnings of oligosaccharide length specificity. PMID:22918832

  12. A Study of the Utilization of Advanced Composites in Fuselage Structures of Commercial Aircraft

    NASA Technical Reports Server (NTRS)

    Watts, D. J.; Sumida, P. T.; Bunin, B. L.; Janicki, G. S.; Walker, J. V.; Fox, B. R.

    1985-01-01

    A study was conducted to define the technology and data needed to support the introduction of advanced composites in the future production of fuselage structure in large transport aircraft. Fuselage structures of six candidate airplanes were evaluated for the baseline component. The MD-100 was selected on the basis of its representation of 1990s fuselage structure, an available data base, its impact on the schedule and cost of the development program, and its availability and suitability for flight service evaluation. Acceptance criteria were defined, technology issues were identified, and a composite fuselage technology development plan, including full-scale tests, was identified. The plan was based on composite materials to be available in the mid to late 1980s. Program resources required to develop composite fuselage technology are estimated at a rough order of magnitude to be 877 man-years exclusive of the bird strike and impact dynamic test components. A conceptual composite fuselage was designed, retaining the basic MD-100 structural arrangement for doors, windows, wing, wheel wells, cockpit enclosure, major bulkheads, etc., resulting in a 32 percent weight savings.

  13. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... preserve and protect all structures, equipment, and vegetation (such as trees, shrubs, and grass) on or... work required under this contract. The Contractor shall only remove trees when specifically authorized... trees are broken during contract performance, or by the careless operation of equipment, or by...

  14. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... preserve and protect all structures, equipment, and vegetation (such as trees, shrubs, and grass) on or... work required under this contract. The Contractor shall only remove trees when specifically authorized... trees are broken during contract performance, or by the careless operation of equipment, or by...

  15. Utilizing Natural Structure of the Research Literature in Psychology as a Model for Bibliographic Instruction.

    ERIC Educational Resources Information Center

    Olivetti, L. James

    1979-01-01

    Offered as an alternative to the search strategy model for bibliographic instruction, the approach to library instruction in psychology which is described involves analysis of the natural structure of the research literature. An example using Festinger's theory of cognitive dissonance is presented. Twelve references are cited. (EJS)

  16. Static shape control of smart structures: A new approach utilizing compliant mechanisms

    NASA Astrophysics Data System (ADS)

    Saggere, Laxminarayana

    Smart structures are "active" structures capable of sensing stimuli, and responding with active control. Static shape control of a smart structure is a controlled response involving quasi-static change in its configuration from a given state into another desired state. Static shape control of smart structures finds numerous potential applications, especially in the aerospace field, and is accomplished in the current practice by interfacing an "inert" structure with a distribution of a multitude of discrete smart materials based actuators and control capabilities. Such a distributed actuation approach has several advantages. However, the implementation of this technology in many practical applications is currently impeded by certain limitations such as inadequate stroke and response time of the state-of-the-art smart materials based actuators, numerousness of the actuators required, and the associated complexity of the distributed parameter control. Therefore, motivated by the need for improved actuation schemes, a novel approach for static shape control of flexible structures has been developed in this dissertation. The new approach offers practicable solutions for real-scale applications while reducing the number of actuators and control complexity of the system. In this approach, a given beam segment is "deformed" into prescribed shapes by transmitting controlled displacements to "optimal" points on the segment from one or two actuators (not limited to smart materials) located away from the segment through a special class of mechanisms called compliant mechanisms--mechanisms that achieve mobility from the elastic deformations of its links and joints. This research has developed two procedures for systematic syntheses of complaint mechanisms for effectuating desired shape changes in a given segment in two possible modes: one involving pure bending and the other involving bending plus a rigid-body motion. The procedures are based on the first-principles of kinematics and mechanics combined through structural optimization techniques. In these procedures, first the topology of the compliant mechanism is systematically established by generating a frame-work of beam elements between predetermined "optimal" activation points on the given segment and the input actuation point(s); then, the dimensions of the mechanism are optimized by solving inverse problems. The two procedures are illustrated by an example for each case.

  17. Prismatic sealed nickel-cadmium batteries utilizing fiber structured electrodes. II - Applications as a maintenance free aircraft battery

    NASA Astrophysics Data System (ADS)

    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.

  18. Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties

    SciTech Connect

    Wang, Yansong; Zhou, Zhimin

    2015-08-15

    The use of triazine and aromatic carboxylic acid as mixed chelating ligands in preparing two coordination polymers is described. Two new transition-metal coordination polymers, namely, [Co{sub 2}(bpdc){sub 4}(phdat){sub 2}] (1) and [Zn(bpdc)]{sub n} (2) (H{sub 2}bpdc=2,4-biphenyldicarboxylic acid, phdat=2,4-diamine-6-phenyl-1,3,5-triazine), have been hydrothermally synthesized and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. Compound 1 is a 0D structure and extends to a 3D network by two different N–H···O and N–H···N hydrogen bonds. Compound 2 exhibits a 2D network with 4{sup 4}.6{sup 2} topological net, which contains two kinds of single helical chains. The interactions within each Co(II)–Co(II) pair of compound 1 are antiferromagnetic (g=2.19, J=−22 K, zj′=−0.00351 K). Furthermore, the photoluminescence property of 2 was also investigated in the solid state at room temperature. - Graphical abstract: Two polymeric metal compounds based on mixed-ligands were synthesized and characterized. The use of different metal ions results in distinct structures. The magnetic and fluorescent properties were also studied. - Highlights: • The first bpdc{sup 2−}/phdat-based 0D discrete coordination complex. • A new 2D architecture with two kinds of helical chains. • The structure-dependent magnetism and photoluminescence properties.

  19. Utilization of Optimization for Design of Morphing Wing Structures for Enhanced Flight

    NASA Astrophysics Data System (ADS)

    Detrick, Matthew Scott

    Conventional aircraft control surfaces constrain maneuverability. This work is a comprehensive study that looks at both smart material and conventional actuation methods to achieve wing twist to potentially improve flight capability using minimal actuation energy while allowing minimal wing deformation under aerodynamic loading. A continuous wing is used in order to reduce drag while allowing the aircraft to more closely approximate the wing deformation used by birds while loitering. The morphing wing for this work consists of a skin supported by an underlying truss structure whose goal is to achieve a given roll moment using less actuation energy than conventional control surfaces. A structural optimization code has been written in order to achieve minimal wing deformation under aerodynamic loading while allowing wing twist under actuation. The multi-objective cost function for the optimization consists of terms that ensure small deformation under aerodynamic loading, small change in airfoil shape during wing twist, a linear variation of wing twist along the length of the wing, small deviation from the desired wing twist, minimal number of truss members, minimal wing weight, and minimal actuation energy. Hydraulic cylinders and a two member linkage driven by a DC motor are tested separately to provide actuation. Since the goal of the current work is simply to provide a roll moment, only one actuator is implemented along the wing span. Optimization is also used to find the best location within the truss structure for the actuator. The active structure produced by optimization is then compared to simulated and experimental results from other researchers as well as characteristics of conventional aircraft.

  20. Structural analysis of the central Columbia Plateau utilizing radar, digital topography, and magnetic data bases

    SciTech Connect

    Thiessen, R.L.; Eliason, J.R.; Johnson, L.K.; Brougher, C.W.; Foley, M.G.; Beaver, D.E.

    1991-08-01

    Interest in the Hanford site (Washington) as a nuclear production, power, and waste disposal site has led to generation of a vast quantity of geophysical and remote sensing data sets of the central Columbia Plateau. To data, these various studies, including at least 13 independent magnetic linear and image lineament studies, have not been adequately correlated. Therefore, these studies provide a unique opportunity to compare and contrast the viability of the different geophysical and remote sensing techniques. The geology of the central Columbia Plateau is characterized by subdued topography and limited outcrop, with most of the exposure concentrated in localized folded/faulted mountains (the Yakima folds) and along river canyons. In order to efficiently compare lineament data bases, we have written an automated computer routine that correlated lineaments that are within a user specified distance of each other. The angle between their trends has to be less than an input maximum separation angle. If more than two lineament maps exist for the area, the analyst may also specify the minimum number of times each structure must be seen. The lineament correlation routine was applied to data bases of all aeromagnetic linears as well as lineaments seen on radar and a digital elevation model DEM image. Geologic structures align with a set of three-dimensional planar structures identified with our Geologic Spatial Analysis (GSA) system. The GSA analysis is based upon computer automated detection of valley bottoms as defined by a DEM.

  1. Utilizing a Key Aptamer Structure-Switching Mechanism for the Ultrahigh Frequency Detection of Cocaine.

    PubMed

    Neves, Miguel A D; Blaszykowski, Christophe; Thompson, Michael

    2016-03-15

    Aptasensing of small molecules remains a challenge as detection often requires the use of labels or signal amplification methodologies, resulting in both difficult-to-prepare sensor platforms and multistep, complex assays. Furthermore, many aptasensors rely on the binding mechanism or structural changes associated with target capture by the aptameric probe, resulting in a detection scheme customized to each aptamer. It is in this context that we report herein a sensitive cocaine aptasensor that offers both real-time and label-free measurement capabilities. Detection relies on the electromagnetic piezoelectric acoustic sensor (EMPAS) platform. The sensing interface consists of a S-(11-trichlorosilyl-undecanyl)benzenethiosulfonate (BTS) adlayer-coated quartz disc onto which a structure-switching cocaine aptamer (MN6) is immobilized, completing the preparation of the MN6 cocaine aptasensor (M6CA). The EMPAS system has recently been employed as the foundation of a cocaine aptasensor based on a structurally rigid cocaine aptamer variant (MN4), an aptasensor referred to by analogy as M4CA. M6CA represents a significant increase in terms of analytical performance, compared to not only M4CA but also other cocaine aptamer-based sensors that do not rely on signal amplification, producing an apparent Kd of 27 ± 6 μM and a 0.3 μM detection limit. Remarkably, the latter is in the range of that achieved by cocaine aptasensors relying on signal amplification. Furthermore, M6CA proved to be capable not only of regaining its cocaine-binding ability via simple buffer flow over the sensing interface (i.e., without the necessity to implement an additional regeneration step, such as in the case of M4CA), but also of detecting cocaine in a multicomponent matrix possessing potentially assay-interfering species. Finally, through observation of the distinct shape of its response profiles to cocaine injection, demonstration was made that the EMPAS system in practice offers the possibility to distinguish between the binding mechanisms of structure-switching (MN6) vs rigid (MN4) aptameric probes, an ability that could allow the EMPAS to provide a more universal aptasensing platform than what is ordinarily observed in the literature. PMID:26871312

  2. Utility of R0 as a predictor of disease invasion in structured populations

    USGS Publications Warehouse

    Cross, P.C.; Johnson, P.L.F.; Lloyd-Smith, J. O.; Getz, W.M.

    2007-01-01

    Early theoretical work on disease invasion typically assumed large and well-mixed host populations. Many human and wildlife systems, however, have small groups with limited movement among groups. In these situations, the basic reproductive number, R0, is likely to be a poor predictor of a disease pandemic because it typically does not account for group structure and movement of individuals among groups. We extend recent work by combining the movement of hosts, transmission within groups, recovery from infection and the recruitment of new susceptibles into a stochastic model of disease in a host metapopulation. We focus on how recruitment of susceptibles affects disease invasion and how population structure can affect the frequency of superspreading events (SSEs). We show that the frequency of SSEs may decrease with the reduced movement and the group sizes due to the limited number of susceptible individuals available. Classification tree analysis of the model results illustrates the hierarchical nature of disease invasion in host metapopulations. First, the pathogen must effectively transmit within a group (R0 > 1), and then the pathogen must persist within a group long enough to allow for movement among the groups. Therefore, the factors affecting disease persistence - such as infectious period, group size and recruitment of new susceptibles - are as important as the local transmission rates in predicting the spread of pathogens across a metapopulation. ?? 2006 The Royal Society.

  3. Structured observations of hygiene behaviours in Burkina Faso: validity, variability, and utility.

    PubMed Central

    Curtis, V.; Cousens, S.; Mertens, T.; Traore, E.; Kanki, B.; Diallo, I.

    1993-01-01

    The use of observation techniques has been promoted for the study of hygiene practices; however, questions still remain about the validity and repeatability of such techniques. In this article we compare data on hygiene behaviours obtained from questionnaires with data obtained using a structured observation approach and examine the repeatability of structured observations of behaviours and spot observations of environmental conditions. Poor agreement between questionnaire responses and observations was found for child defecation and stool disposal practices (kappa statistic: 0.25 and 0.28, respectively). There was evidence of over-reporting of "good" behaviours (P < 0.0001). Repeated observations of child defecation and stool disposal behaviours showed better agreement (kappa statistic: 0.76 and 0.62, respectively) based on small sample sizes. These findings suggest that our questionnaire data are less valid than data obtained by direct observation. However, different approaches to questioning may be less prone to over-reporting of "good" behaviours than our approach. Further research into the validity of different forms of question is warranted. Behaviours and conditions related to hygiene vary. Observations may be useful in determining the frequency of different behaviours/conditions in the community. However, individual practices may be too variable to assign individuals to exposed and non-exposed groups for the purpose of identifying links with health outcomes. Further studies on the variability of behaviours and the repeatability of observations are therefore needed. PMID:8440034

  4. Study of utilization of advanced composites in fuselage structures of large transports

    NASA Technical Reports Server (NTRS)

    Jackson, A. C.; Campion, M. C.; Pei, G.

    1984-01-01

    The effort required by the transport aircraft manufacturers to support the introduction of advanced composite materials into the fuselage structure of future commercial and military transport aircraft is investigated. Technology issues, potential benefits to military life cycle costs and commercial operating costs, and development plans are examined. The most urgent technology issues defined are impact dynamics, acoustic transmission, pressure containment and damage tolerance, post-buckling, cutouts, and joints and splices. A technology demonstration program is defined and a rough cost and schedule identified. The fabrication and test of a full-scale fuselage barrel section is presented. Commercial and military benefits are identified. Fuselage structure weight savings from use of advanced composites are 16.4 percent for the commercial and 21.8 percent for the military. For the all-composite airplanes the savings are 26 percent and 29 percent, respectively. Commercial/operating costs are reduced by 5 percent for the all-composite airplane and military life cycle costs by 10 percent.

  5. Evaluation of commercial utility of ERTS-A imagery in structural reconnaissance for minerals and petroleum

    NASA Technical Reports Server (NTRS)

    Saunders, D. F.; Thomas, G. E.

    1973-01-01

    Five areas in North America (North Slope-Alaska, Superior Province-Canada, Williston Basin-Montana, Colorado and New Mexico-West Texas) are being studied for discernibility of geological evidence on ERTS-1 imagery, Evidence mapped is compared with known mineral/hydrocarbon accumulations to determine the value of the imagery in commercial exploration programs. Evaluation has proceeded in the New Mexico-West Texas area while awaiting imagery in the other areas. To date, results have been better than expected. Clearly discernible structural lineaments in New Mexico-West Texas are evident on the photographs. Comparison of this evidence with known major mining localities in New Mexico indicates a clear pattern of coincidence between the lineaments and mining localities. In West Texas, lineament and geomorphological evidence obtainable from the photographs define the petroleum-productive Central Basin Platform. Based on evaluation results in the New Mexico-West Texas area and on cursory results in the other four areas of North America, ERTS-1 imagery will be extremely valuable in defining the regional and local structure in any commercial exploration program.

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

    NASA Astrophysics Data System (ADS)

    Jomekian, A.; Behbahani, R. M.; Mohammadi, T.; Kargari, A.

    2016-03-01

    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, N2 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 m2/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/Zn2+ had increasing effect on ZIF-8 particle size, pore size, pore volume, crystallinity and BET surface area of all investigated samples.

  7. Innovative design of composite structures: Design, manufacturing, and testing of plates utilizing curvilinear fiber trajectories

    NASA Technical Reports Server (NTRS)

    Hyer, M. W.; Rust, R. J.; Waters, W. A., Jr.

    1994-01-01

    As a means of improving structural design, the concept of fabricating flat plates containing holes by incorporating curvilinear fiber trajectories to transmit loads around the hole is studied. In the present discussion this concept is viewed from a structural level, where access holes, windows, doors, and other openings are of significant size. This is opposed to holes sized for mechanical fasteners. Instead of cutting the important load-bearing fibers at the hole edge, as a conventional straightline design does, the curvilinear design preserves the load-bearing fibers by orienting them in smooth trajectories around the holes, their loading not ending abruptly at the hole edge. Though the concept of curvilinear fiber trajectories has been studied before, attempts to manufacture and test such plates have been limited. This report describes a cooperative effort between Cincinnati Milacron Inc., NASA Langley Research Center, and Virginia Polytechnic Institute and State University to design, manufacture, and test plates using the curvilinear fiber trajectory concept. The paper discusses details of the plate design, details of the manufacturing, and a summary of results from testing the plates with inplane compressive buckling loads and tensile loads. Comparisons between the curvilinear and conventional straightline fiber designs based on measurements and observation are made. Failure modes, failure loads, strains, deflections, and other key responses are compared.

  8. The utility of petroleum seismic exploration data in delineating structural features within salt anticlines

    USGS Publications Warehouse

    Stockton, S.L.; Balch, Alfred H.

    1978-01-01

    The Salt Valley anticline, in the Paradox Basin of southeastern Utah, is under investigation for use as a location for storage of solid nuclear waste. Delineation of thin, nonsalt interbeds within the upper reaches of the salt body is extremely important because the nature and character of any such fluid- or gas-saturated horizons would be critical to the mode of emplacement of wastes into the structure. Analysis of 50 km of conventional seismic-reflection data, in the vicinity of the anticline, indicates that mapping of thin beds at shallow depths may well be possible using a specially designed adaptation of state-of-the-art seismic oil-exploration procedures. Computer ray-trace modeling of thin beds in salt reveals that the frequency and spatial resolution required to map the details of interbeds at shallow depths (less than 750 m) may be on the order of 500 Hz, with surface-spread lengths of less than 350 m. Consideration should be given to the burial of sources and receivers in order to attenuate surface noise and to record the desired high frequencies. Correlation of the seismic-reflection data with available well data and surface geology reveals the complex, structurally initiated diapir, whose upward flow was maintained by rapid contemporaneous deposition of continental clastic sediments on its flanks. Severe collapse faulting near the crests of these structures has distorted the seismic response. Evidence exists, however, that intrasalt thin beds of anhydrite, dolomite, and black shale are mappable on seismic record sections either as short, discontinuous reflected events or as amplitude anomalies that result from focusing of the reflected seismic energy by the thin beds; computer modeling of the folded interbeds confirms both of these as possible causes of seismic response from within the salt diapir. Prediction of the seismic signatures of the interbeds can be made from computer-model studies. Petroleum seismic-reflection data are unsatisfactory for mapping the thin beds because of the lack of sufficient resolution to provide direct evidence of the presence of the thin beds. However, indirect evidence, present in these data as discontinuous seismic events, suggests that two geophysical techniques designed for this specific problem would allow direct detection of the interbeds in salt. These techniques are vertical seismic profiling and shallow, short-offset, high-frequency, seismic-reflection recording.

  9. Limited Predictive Utility of Admissions Scores and Objective Structured Clinical Examinations for APPE Performance

    PubMed Central

    McLaughlin, Jacqueline E.; Khanova, Julia; Scolaro, Kelly; Rodgers, Philip T.

    2015-01-01

    Objective. To examine the relationship between admissions, objective structured clinical examination (OSCE), and advanced pharmacy practice experience (APPE) scores. Methods. Admissions, OSCE, and APPE scores were collected for students who graduated from the doctor of pharmacy (PharmD) program in spring of 2012 and spring of 2013 (n=289). Pearson correlation was used to examine relationships between variables, and independent t test was used to compare mean scores between groups. Results. All relationships among admissions data (undergraduate grade point average, composite PCAT scores, and interview scores) and OSCE and APPE scores were weak, with the strongest association found between the final OSCE and ambulatory care APPEs. Students with low scores on the final OSCE performed lower than others on the acute care, ambulatory care, and community APPEs. Conclusion. This study highlights the complexities of assessing student development of noncognitive professional skills over the course of a curriculum. PMID:26430271

  10. End-to-end communication test on variable length packet structures utilizing AOS testbed

    NASA Technical Reports Server (NTRS)

    Miller, Warner H.; Sank, V.; Fong, Wai; Miko, J.; Powers, M.; Folk, John; Conaway, B.; Michael, K.; Yeh, Pen-Shu

    1994-01-01

    This paper describes a communication test, which successfully demonstrated the transfer of losslessly compressed images in an end-to-end system. These compressed images were first formatted into variable length Consultative Committee for Space Data Systems (CCSDS) packets in the Advanced Orbiting System Testbed (AOST). The CCSDS data Structures were transferred from the AOST to the Radio Frequency Simulations Operations Center (RFSOC), via a fiber optic link, where data was then transmitted through the Tracking and Data Relay Satellite System (TDRSS). The received data acquired at the White Sands Complex (WSC) was transferred back to the AOST where the data was captured and decompressed back to the original images. This paper describes the compression algorithm, the AOST configuration, key flight components, data formats, and the communication link characteristics and test results.

  11. Study on utilization of advanced composites in commercial aircraft wing structures. Volume 1: Executive summary

    NASA Technical Reports Server (NTRS)

    Sakata, I. F.; Ostrom, R. B.; Cardinale, S. V.

    1978-01-01

    The effort required by commercial transport manufacturers to accomplish the transition from current construction materials and practices to extensive use of composites in aircraft wings was investigated. The engineering and manufacturing disciplines which normally participate in the design, development, and production of an aircraft were employed to ensure that all of the factors that would enter a decision to commit to production of a composite wing structure were addressed. A conceptual design of an advanced technology reduced energy aircraft provided the framework for identifying and investigating unique design aspects. A plan development effort defined the essential technology needs and formulated approaches for effecting the required wing development. The wing development program plans, resource needs, and recommendations are summarized.

  12. Alignment and structural control of nitrogen-doped carbon nanotubes by utilizing precursor concentration effect.

    PubMed

    Deng, Weina; Chen, Xiaohua; Chen, Xian; Liu, Zheng; Zeng, Ying; Hu, Aiping; Xiong, Yina; Li, Zhe; Tang, Qunli

    2014-11-28

    Nitrogen-doped carbon nanotubes (NCNTs) were prepared using a simple ultrasonic spray pyrolysis method. The precursor concentration effect was examined to effectively control alignment, open tip and diameter of the NCNTs by changing xylene/cyclohexylamine ratio. The structure and morphology of the resultant NCNTs were characterized by scanning electron microscopy, transmission electron microscopy and x-ray photoelectron spectroscopy. The degree of alignment and the diameter of the NCNTs increased as the xylene/cyclohexylamine precursor mixture was changed from 0 to 35% cyclohexylamine. This precursor composition also caused a large number of open-ended nanotubes to form with graphite layers inside the cavities of the NCNTs. However, further increase cyclohexylamine content in the precursor reduced the degree of alignment and diameter of the NCNTs. We demonstrate control over the NCNT alignment and diameter, along with the formation of open-ended nanotube tips, and propose a growth mechanism to understand how these properties are interlinked. PMID:25369800

  13. Gift-Giving and Network Structure in Rural China: Utilizing Long-Term Spontaneous Gift Records

    PubMed Central

    Chen, Xi

    2014-01-01

    The tradition of keeping written records of gift received during household ceremonies in many countries offers researchers an underutilized means of data collection for social network analysis. This paper first summarizes unique features of the gift record data that circumvent five prevailing sampling and measurement issues in the literature, and we discuss their advantages over existing studies at both the individual level and the dyadic link level using previous data sources. We then document our research project in rural China that implements a multiple wave census-type household survey and a long-term gift record collection. The pattern of gift-giving in major household social events and its recent escalation is analyzed. There are significantly positive correlations between gift network centrality and various forms of informal insurance. Finally, economic inequality and competitive marriage market are among the main demographic and socioeconomic determinants of the observed gift network structure. PMID:25111696

  14. Utilization of monolayer MoS2 in Bragg stacks and metamaterial structures as broadband absorbers

    NASA Astrophysics Data System (ADS)

    Mukherjee, Bablu; Simsek, Ergun

    2016-06-01

    We numerically study the possibility of using atomically thin transition metal dichalcogenides (TMDs) for applications requiring broadband absorption in the visible range of the electromagnetic spectrum. We demonstrate that when monolayer TMDs are positioned into a finite-period of multilayer Bragg stack geometry, they make broadband, wide-angle, almost polarization-independent absorbers. In our study, we consider molybdenum disulfide (MoS2) and silicon dioxide (SiO2) as semiconducting and dielectric thin film of alternate high- and low- index films, respectively. By optimizing the thickness of the SiO2 film, we find that monolayer MoS2 based Bragg stacks can absorb 94.7% of the incident energy in the visible (350-700 nm). Similar structures can be engineered to make perfect reflectors for saturable absorption applications. We also demonstrate that bandwidth of metamaterial absorbers can be expanded using monolayer TMDs.

  15. Sensor Array Devices Utilizing Nano-structured Metal-oxides for Hazardous Gas Detection

    NASA Astrophysics Data System (ADS)

    Andio, Mark A.

    Methane and carbon monoxide are two hazardous gases which require continuous monitoring by gas sensors in underground coal mines for explosion prevention and toxicity, respectively. This work explored implementing miniaturized gas sensors in this area to simultaneously detect both gases for benefits of increased portability and reduced power consumption of the chemiresistive gas sensor device. The focus of this research was to understand how the particle size, morphology, and microstructure of the metaloxide film affected the gas sensor performance to the two gases of interest on miniaturized gas sensor devices in the form of microhotplate platforms. This was done through three main research studies. The first was conducted by growing SnO2 nanowires from SnO 2 particles using an Au-catalyst. Growth conditions including temperature, time, and oxygen partial pressure were explored to determine the formation aspects of the SnO2 nanowires. Gas sensor studies were completed that provided evidence that the SnO2 nanowires increased detection to a fixed concentration of carbon monoxide compared to SnO2 particles without nano-structure formation. A second research study was performed to compare the gas sensor performance of SnO2 nanoparticles, hierarchical particles, and micron-size particles. The nanoparticles were developed into an ink and deposited via ink-jet printing on the microhotplate substrates to control the microstructure of the metal-oxide film. By preventing agglomeration of the nanoparticle film, the SnO2 nanoparticles displayed similar gas sensor performance to methane and carbon monoxide as the hierarchical particles. Both nano-structures had much higher gas sensor response than the micron-size particles which confirms the surface area of the metal-oxide film is critical for reaction of the analyte gas at the surface. The last research study presented in the dissertation describes an oxide nanoparticle array developed for detecting methane and carbon monoxide in the presence of one another. A design of experiments was constructed and principal component analysis was used for determining the optimum temperatures of the metal-oxide elements. A four element array was developed with the SnO 2 and TiO2 sensor elements able to detect methane concentrations of interest and the ZnO and NiO sensor elements able to detect the carbon monoxide concentrations. A linear based prediction model was developed and tested for accuracy and reproducibility of the model to a series of random gas concentrations.

  16. Ert Applied to the Characterization of Subsidence in Mexico City: Ancient Structures Affecting Urban Utilities

    NASA Astrophysics Data System (ADS)

    Arango, C.; Chavez, R. E.; Cifuentes-Nava, G.; Hernández-Quintero, E.

    2013-05-01

    The problem of subsidence in Mexico City is basically due to the rapid extraction of groundwater for water supply in addition to the geological conditions. The most typical manifestations of the phenomena are presented as cracks and fractures due to compaction of ancient lake clayish sediments. This phenomenon has caused major affectations to city infrastructure because of the differential subsidence. Fractured buildings, sinkholes, among others manifestations, are potentially sources of collapses, which exposes the population to a serious risk. A small portion of Iztacalco County is being affected by this problem, specifically, in a crossroad formed by two important avenues: La Viga and Plutarco Elias Calles, where the area apparently increases its topographical level. The Electrical Resistivity Tomography technique was selected in order to obtain a resistivity image of the subsoil, which allows identify the main features associated to the terrain uprising. Three (ERT) profiles 200 m, were deployed on the mentioned crossroad in order to characterize the subsurface structures affecting the topographical level of the avenues. A big resistivity anomaly (~ 1000 ohm-m) could be observed towards the central part of the crossroad, coinciding with the major lifting level on surface. This feature appears at 15 m deep in all the profiles and depicts an approximate extension of 100 m in the E-W direction and 60 m in N-S axis. On the other hand, the surrounding material seems to correspond to a higher-saturated environment (lacustrine sediments <10 ohm-m). Shallow anomalies were also detected related to urban artifacts (pipes, sewers, etcetera). The apparently terrain uprising can be associated to a differential subsidence. However, the mentioned avenues were ancient water channels since pre-Hispanic times, where the caudal was enough to allow small steam boating at late nineteenth century. These waterways served as main routes for the exchange of goods during colonial times until the early twentieth century, and just at the junction of the channels, there was a custom gate, where the merchandise used to be registered before its arrival to the downtown market. We suspect that these high resistivity structures could be remains of those buildings that were not removed when the authorities decided to drain the channels in 1921.

  17. The structure of myostatin:follistatin 288: insights into receptor utilization and heparin binding

    SciTech Connect

    Cash, Jennifer N.; Rejon, Carlis A.; McPherron, Alexandra C.; Bernard, Daniel J.; Thompson, Thomas B.

    2009-09-29

    Myostatin is a member of the transforming growth factor-{beta} (TGF-{beta}) family and a strong negative regulator of muscle growth. Here, we present the crystal structure of myostatin in complex with the antagonist follistatin 288 (Fst288). We find that the prehelix region of myostatin very closely resembles that of TGF-{beta} class members and that this region alone can be swapped into activin A to confer signalling through the non-canonical type I receptor Alk5. Furthermore, the N-terminal domain of Fst288 undergoes conformational rearrangements to bind myostatin and likely acts as a site of specificity for the antagonist. In addition, a unique continuous electropositive surface is created when myostatin binds Fst288, which significantly increases the affinity for heparin. This translates into stronger interactions with the cell surface and enhanced myostatin degradation in the presence of either Fst288 or Fst315. Overall, we have identified several characteristics unique to myostatin that will be paramount to the rational design of myostatin inhibitors that could be used in the treatment of muscle-wasting disorders.

  18. Utilization of quantitative structure-activity relationships (QSARs) in risk assessment: Alkylphenols

    SciTech Connect

    Beck, B.D.; Toole, A.P.; Callahan, B.G.; Siddhanti, S.K. )

    1991-12-01

    Alkylphenols are a class of environmentally pervasive compounds, found both in natural (e.g., crude oils) and in anthropogenic (e.g., wood tar, coal gasification waste) materials. Despite the frequent environmental occurrence of these chemicals, there is a limited toxicity database on alkylphenols. The authors have therefore developed a 'toxicity equivalence approach' for alkylphenols which is based on their ability to inhibit, in a specific manner, the enzyme cyclooxygenase. Enzyme-inhibiting ability for individual alkylphenols can be estimated based on the quantitative structure-activity relationship developed by Dewhirst (1980) and is a function of the free hydroxyl group, electron-donating ring substituents, and hydrophobic aromatic ring substituents. The authors evaluated the toxicological significance of cyclooxygenase inhibition by comparison of the inhibitory capacity of alkylphenols with the inhibitory capacity of acetylsalicylic acid, or aspirin, a compound whose low-level effects are due to cyclooxygenase inhibition. Since nearly complete absorption for alkylphenols and aspirin is predicted, based on estimates of hydrophobicity and fraction of charged molecules at gastrointestinal pHs, risks from alkylphenols can be expressed directly in terms of 'milligram aspirin equivalence,' without correction for absorption differences. They recommend this method for assessing risks of mixtures of alkylphenols, especially for those compounds with no chronic toxicity data.38 references.

  19. Structural Determinants in Family Planning Service Utilization in Ethiopia: EDHS 2011 Analysis

    PubMed Central

    Gizachew Balew, Jembere; Cho, Yongtae; Tammy Kim, Clara; Ko, Woorim

    2015-01-01

    Family planning coverage has improved in Ethiopia in the last decade, though fertility is still about 5.8 in the rural setup. In this paper, the major structural determinants of family planning service were analyzed using a multilevel model from 8906 individual women observation in the 2011 EDHS data. The results show that there is a big variation in family planning use both at the individual and between group levels. More than 39% of the variation in FP use is explained by contextual cluster level differences. Most of the socioeconomic predictors; respondent's education, ethnicity, and partners' education as well as employment status and urbanization were found to be significant factors that affect FP use. Similarly health extension visit and media access were found to be strong factors that affect FP service at both individual and cluster levels. This evidence concludes that addressing these contextual factors is very crucial to strengthen FP use and fertility reduction in the nation, beyond individual behavioral changes. PMID:26783520

  20. Mycobacterium tuberculosis utilizes a unique heterotetrameric structure for dehydrogenation of the cholesterol side chain

    PubMed Central

    Thomas, Suzanne T.; Sampson, Nicole S.

    2013-01-01

    Compounding evidence supports the important role in pathogenesis that the metabolism of cholesterol by Mycobacterium tuberculosis (M. tuberculosis) plays. Elucidating the pathway by which cholesterol is catabolized is necessary to understand the molecular mechanism by which this pathway contributes to infection. Based on early metabolite identification studies in multiple actinomycetes, it has been proposed that cholesterol side chain metabolism requires one or more acyl-CoA dehydrogenases (ACADs). There are 35 genes annotated as encoding ACADs in the M. tuberculosis genome. Here we characterize a heteromeric ACAD encoded by Rv3544c and Rv3543c, formerly named fadE28 and fadE29, respectively. We now refer to genes Rv3544c and Rv3543c as chsE1 and chsE2 in recognition of their validated activity in cholesterol side chain dehydrogenation. Analytical ultracentrifugation and LC/UV experiments establish that ChsE1-ChsE2 forms an ?2?2 heterotetramer, a new architecture for an ACAD. Our bioinformatic analysis and mutagenesis studies reveal that heterotetrameric ChsE1-ChsE2 has only two active sites. E241 in ChsE2 is required for catalysis of dehydrogenation by ChsE1-ChsE2. Steady state kinetic analysis establishes the enzyme is specific for an intact steroid ring system compared to hexahydroindanone substrates with specificity constants (kcat/KM) of 2.5 105 0.5 s-1 M-1 vs 9.8 102 s-1 M-1 respectively, at pH 8.5. The characterization of a unique ACAD quaternary structure involved in sterol metabolism that is encoded by two distinct cistronic ACAD genes opens the way to identification of additional sterol metabolizing ACADs in M. tuberculosis and other actinomycetes through bioinformatic analysis. PMID:23560677

  1. How funding structures for HIV/AIDS research shape outputs and utilization: a Swiss case study

    PubMed Central

    2011-01-01

    Background Research policy in the field of HIV has changed substantially in recent decades in Switzerland. Until 2004, social science research on HIV/AIDS was funded by specialized funding agencies. After 2004, funding of such research was “normalized” and integrated into the Swiss National Science Foundation as the main funding agency for scientific research in Switzerland. This paper offers a longitudinal analysis of the relationship between the changing nature of funding structures on the one hand and the production and communication of policy-relevant scientific knowledge in the field of HIV on the other hand. Methods The analysis relies on an inventory of all social sciences research projects on HIV in Switzerland that were funded between 1987 and 2010, including topics covered and disciplines involved, as well as financial data. In addition, in-depth interviews were conducted with 18 stakeholders. Results The analysis highlights that the pre-2004 funding policy ensured good coverage of important social science research themes. Specific incentives and explicit promotion of social science research related to HIV gave rise to a multidisciplinary, integrative and health-oriented approach. The abolition of a specific funding policy in 2004 was paralleled by a drastic reduction in the number of social science research projects submitted for funding, and a decline of public money dedicated to such research. Although the public administration in charge of HIV policy still acknowledges the relevance of findings from social sciences for the development of prevention, treatment and care, HIV-related social science research does not flourish under current funding conditions. Conclusions The Swiss experience sheds light on the difficulties of sustaining social science research and multidisciplinary approaches related to HIV without specialized funding agencies. Future funding policy might not necessarily require specialized agencies, but should better take into account research dynamics and motivations in the field of social sciences. PMID:21968292

  2. Development of Antiwear Shim Inserts Utilizing Segment-Structured DLC Coatings

    NASA Astrophysics Data System (ADS)

    Takashima, Mai; Kuroda, Tsuyoshi; Saito, Masanori; Ohtake, Naoto; Matsuo, Makoto; Iwamoto, Yoshinao

    Wear and fretting fatigue are important technological problems in automotive, railway and aerospace fields. The purpose of this study is to find a method of reducing the wear of cast-iron (FCD)/aluminum components, which are often applied to automotives, and thus extend their lifetime. First, a stainless-steel (SUS) shim was designed, which can be inserted between an FCD plate and an aluminum plate. Second, diamond-like carbon (DLC) coatings were applied to the shim inserts to prevent the FCD and aluminum plates from wear. Then, the tribological and fatigue characteristics of the shim were evaluated by a ball-on-disk (BoD) test and a bending fatigue test of up to 1×106 cycles. Each substrate was coated with DLC by Plasma-Based Ion Implantation and Deposition (PBII&D). A unique feature of our shim is that a segment-structured DLC film (S-DLC) is employed as well as a continuous DLC (C-DLC) film. The effect of the DLC coating on reducing the damage to the Al plate was apparent, because the surface roughness of the Al plate abraded with the DLC-coated shim was significantly smaller than that abraded directly with the FCD plate. Moreover, the average damage fraction to the C-DLC coating is approximately 20-fold larger than that to the S-DLC coating. The C-DLC film suffers severe damage near the bolt hole, whereas the S-DLC film suffered almost no damage even after 1×106 bending cycles. In conclusion, an S-DLC-coated SUS shim has a marked effect on reducing the wear of Al/FCD components and improving their lifetime.

  3. Quantum-dot blue light emitting diodes utilizing organic/inorganic hybrid structures

    NASA Astrophysics Data System (ADS)

    Wu, Feifei; Hu, Lian; Zhang, Bingpo; Li, Ruifeng; Wu, Huizhen

    2015-02-01

    We report blue color quantum-dot light-emitting diodes (QDLEDs) using an organic-inorganic hybrid structure and CdZnS-ZnS core-shell quantum-dot emitters. In the device organic ploy(3,4-ethylenedioxythiophene):ploy(styrene sulfonate) (PEDOT:PSS) and NN‧-bis(3-methylphenyl)-NN‧-bis(phenyl)-99-spiro-bifluorene (TPD) thin films are respectively used as the hole-injection layer (HIL) and the hole-transporting layer (HTL), and an inorganic ZnSnO thin film is used as the electron-transporting layer (ETL). In the blue QDLEDs, the function of the TPD-HTL is explored and it is found that the device employing a TPD-HTL exhibits much better optical characteristics compared with that having an identical device layout but without the TPD-HTL. The TPD HTL acts as a transition layer and offers a ladder for the injected holes from PEDOT:PSS to the QDs, leading to an more efficient hole injection. It is further found that the intensity ratio between surface-state emission (SSE) and band-edge emission (BEE) (RS/B) of the two devices shows significant difference at high bias voltages. The SSE becomes more prominent at higher bias voltage in the QDLEDs due to the imbalance injection of holes and electrons. The injected holes firstly encounter the excessive electrons accumulated at the surface of the charged QDs, thus the probability of hole-electron recombination at the QDs surface is greatly enhanced at high bias voltages.

  4. Full equations utilities (FEQUTL) model for the approximation of hydraulic characteristics of open channels and control structures during unsteady flow

    USGS Publications Warehouse

    Franz, Delbert D.; Melching, Charles S.

    1997-01-01

    The Full EQuations UTiLities (FEQUTL) model is a computer program for computation of tables that list the hydraulic characteristics of open channels and control structures as a function of upstream and downstream depths; these tables facilitate the simulation of unsteady flow in a stream system with the Full Equations (FEQ) model. Simulation of unsteady flow requires many iterations for each time period computed. Thus, computation of hydraulic characteristics during the simulations is impractical, and preparation of function tables and application of table look-up procedures facilitates simulation of unsteady flow. Three general types of function tables are computed: one-dimensional tables that relate hydraulic characteristics to upstream flow depth, two-dimensional tables that relate flow through control structures to upstream and downstream flow depth, and three-dimensional tables that relate flow through gated structures to upstream and downstream flow depth and gate setting. For open-channel reaches, six types of one-dimensional function tables contain different combinations of the top width of flow, area, first moment of area with respect to the water surface, conveyance, flux coefficients, and correction coefficients for channel curvilinearity. For hydraulic control structures, one type of one-dimensional function table contains relations between flow and upstream depth, and two types of two-dimensional function tables contain relations among flow and upstream and downstream flow depths. For hydraulic control structures with gates, a three-dimensional function table lists the system of two-dimensional tables that contain the relations among flow and upstream and downstream flow depths that correspond to different gate openings. Hydraulic control structures for which function tables containing flow relations are prepared in FEQUTL include expansions, contractions, bridges, culverts, embankments, weirs, closed conduits (circular, rectangular, and pipe-arch shapes), dam failures, floodways, and underflow gates (sluice and tainter gates). The theory for computation of the hydraulic characteristics is presented for open channels and for each hydraulic control structure. For the hydraulic control structures, the theory is developed from the results of experimental tests of flow through the structure for different upstream and downstream flow depths. These tests were done to describe flow hydraulics for a single, steady-flow design condition and, thus, do not provide complete information on flow transitions (for example, between free- and submerged-weir flow) that may result in simulation of unsteady flow. Therefore, new procedures are developed to approximate the hydraulics of flow transitions for culverts, embankments, weirs, and underflow gates.

  5. Utilizing Changes in Repeating Earthquakes to Monitor Evolving Processes and Structure Before and During Volcanic Eruptions

    NASA Astrophysics Data System (ADS)

    Hotovec-Ellis, Alicia

    Repeating earthquakes are two or more earthquakes that share the same source location and source mechanism, which results in the earthquakes having highly similar waveforms when recorded at a seismic instrument. Repeating earthquakes have been observed in a wide variety of environments: from fault systems (such as the San Andreas and Cascadia subduction zone), to hydrothermal areas and volcanoes. Volcano seismologists are particularly concerned with repeating earthquakes, as they have been observed at volcanoes along the entire range of eruptive style and are often a prominent feature of eruption seismicity. The behavior of repeating earthquakes sometimes changes with time, which possibly reflects subtle changes in the mechanism creating the earthquakes. In Chapter 1, we document an example of repeating earthquakes during the 2009 eruption of Redoubt volcano that became increasingly frequent with time, until they blended into harmonic tremor prior to several explosions. We interpreted the source of the earthquakes as stick-slip on a fault near the conduit that slipped increasingly often as the explosion neared in response to the build-up of pressure in the system. The waveforms of repeating earthquakes may also change, even if the behavior does not. We can quantify changes in waveform using the technique of coda wave interferometry to differentiate between changes in source and medium. In Chapters 2 and 3, we document subtle changes in the coda of repeating earthquakes related to small changes in the near-surface velocity structure at Mount St. Helens before and during its eruption in 2004. Velocity changes have been observed prior to several volcanic eruptions, are thought to occur in response to volumetric strain and the opening or closing of cracks in the subsurface. We compared continuous records of velocity change against other geophysical data, and found that velocities at Mount St. Helens change in response to snow loading, fluid saturation, shaking from large distant earthquakes, shallow pressurization, and possibly lava extrusion. Velocity changes at Mount St. Helens are a complex mix of many different effects, and other complementary data are required to interpret the signal.

  6. Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units that Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database

    ERIC Educational Resources Information Center

    Battle, Gary M.; Allen, Frank H.; Ferrence, Gregory M.

    2010-01-01

    A series of online interactive teaching units have been developed that illustrate the use of experimentally measured three-dimensional (3D) structures to teach fundamental chemistry concepts. The units integrate a 500-structure subset of the Cambridge Structural Database specially chosen for their pedagogical value. The units span a number of key

  7. Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units that Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database

    ERIC Educational Resources Information Center

    Battle, Gary M.; Allen, Frank H.; Ferrence, Gregory M.

    2010-01-01

    A series of online interactive teaching units have been developed that illustrate the use of experimentally measured three-dimensional (3D) structures to teach fundamental chemistry concepts. The units integrate a 500-structure subset of the Cambridge Structural Database specially chosen for their pedagogical value. The units span a number of key…

  8. Simultaneous precision positioning and vibration suppression of an intelligent composite satellite structure utilizing piezoelectric sensors and actuators

    NASA Astrophysics Data System (ADS)

    Doherty, Kathleen Marie

    Adaptive or intelligent structures which have the capability for sensing and responding to their environment promise a novel approach to satisfying the stringent performance requirements of future space missions. This research effort focuses on the development of a smart thruster mount truss structure with precision positioning and active vibration suppression capability for use in a space satellite. The smart thruster mount would utilize piezoelectric sensors and actuators for precision positioning to provide fine tuning of position tolerance for thruster alignment. The same structure may be used for suppressing the vibration that resonates throughout the spacecraft during thruster firing. This vibration renders sensitive optical or measurement equipment non-operational until the disturbance has dissipated. This smart system approach would greatly enhance mission performance by fine tuning attitude control, potentially eliminating the nonoperational period as well as minimizing fuel consumption utilized for position correction. The configuration of the smart thruster mount truss system is that of a modified Stewart platform. Precision positioning of the truss structure is achieved using active members which extend or contract to tilt the upper platform where the thruster is mounted. An inverse kinematic analysis of a modified Stewart platform has been developed and is used to determine the required axial displacement of the active struts for the desired angular tilt of the smart platform. Experimental data is used to verify the precision positioning capabilities of the active struts. This information demonstrates the ability of the active strut to tilt the top of the smart platform by the required angular displacement. Analytical verification of the vibration suppression capabilities of the active struts in the smart composite platform using finite element analysis is presented. A model of an active strut with surface mounted sensors/actuators was used to develop a vibration suppression scheme. This technique was used successfully to analytically demonstrate both the lateral and axial vibration suppression capability of the active strut. The numerical and experimental results show that the proposed smart platform offers a promising method for achieving fine tuning of positioning tolerances of a thruster as well as minimizing the effect of the disturbance generated during thruster firing.

  9. Factor Structure and Clinical Utility of the Beck Depression Inventory in Patients with Binge Eating Disorder and Obesity

    PubMed Central

    Udo, Tomoko; McKee, Sherry A.; Grilo, Carlos M.

    2015-01-01

    Objective The Beck Depression Inventory (BDI) is often used to assess depression symptoms, but its factor structure and clinical utility have not been evaluated in patients with binge eating disorder (BED) and obesity. Methods 882 treatment-seeking obese patients with BED were administered structured interviews (SCID-I/P) and completed self-report questionnaires. Results Exploratory and confirmatory factor analyses supported a brief 16-item BDI version with a three-factor structure (affective, attitudinal, and somatic). Both 21- and 16-item versions showed excellent internal consistency (both α=0.89) and had significant correlation patterns with different aspects of eating disorder psychopathology; three factors showed significant but variable associations with eating disorder psychopathology. Area under the curves (AUC) for both BDI versions were significant in predicting major depressive disorder (MDD; AUC=0.773 [16-item], 73.5% sensitivity/70.2% specificity, AUC=0.769 [21-item], 79.5% sensitivity/64.1% specificity) and mood disorders (AUC=0.763 [16-item], 67.1% sensitivity/71.5% specificity, AUC=0.769 [21-item], 84.2% sensitivity/55.7% specificity). 21-item BDI (cut-off score ≥16) showed higher negative predictive values (94.0% vs. 93.0% [MDD]; 92.4% vs. 88.3% [mood disorders]) than brief 16-item BDI (cut-off score ≥13). Conclusions Both BDI versions demonstrated moderate performance as a screening instrument for MDD/mood disorders in obese patients with BED. Advantages and disadvantages for both versions are discussed. A three-factor structure has potential to inform the conceptualization of depression features. PMID:25537344

  10. Simplified Structure of Ducted Darrieus-Type Hydro Turbine with Narrow Intake for Extra-low Head Hydropower Utilization

    NASA Astrophysics Data System (ADS)

    Matsushita, Daisuke; Okuma, Kusuo; Watanabe, Satoshi; Furukawa, Akinori

    A ducted Darrieus-type hydro turbine has been proposed for extra-low head hydropower utilization of total head less than 2m, where development is almost not done in the commercial base. Though the efficiency of Darrieus-type turbine, which is cross flow type, is not so high as conventional type, the Darrieus-type has a cost-advantage due to the simple structure. By installing a narrow intake at upstream of the runner, the efficiency becomes higher than normal intake that a width of which is the same as one of runner section. In the case of normal intake, the casing clearance between the runner pitch circle and the side-wall at the runner section becomes the influential factor which deteriorates the efficiency. On the other hand, in the case of narrow intake, it is possible to keep efficiency high, based on the fact that the distorting flow to the clearance is prevented. In the present paper, the effects of narrow intake and draft tube on turbine performance are experimentally examined and the design guideline of simplified structure for ducted Darrieus-type turbine with narrow intake is proposed.

  11. Efficiency Enhancement of Tandem Organic Light-Emitting Devices Fabricated Utilizing an Organic BEDT-TTF and HAT-CN Charge Generation Layer.

    PubMed

    Kim, Dae Hun; Kim, Tae Whan

    2015-10-01

    The electrical and optical properties of tandem organic light-emitting devices (OLEDs) fabricated utilizing an organic bis(ethylenedithio)-tetrathiafulvalene (BEDT-TTF) and 1,4,5,8,9,11-hexaazatriphenylenehexacarbonitrile (HAT-CN) charge generation layer (CGL) were investigated to enhance their efficiency. While the operating voltage of the tandem OLEDs with a BEDT-TTF and HAT-CN CGL at 50 mA/cm2 was 11.2 V lower than that of the tandem OLEDs without a CGL, the current efficiency of the tandem OLEDs with a BEDT-TTF and a HAT-CN CGL at 50 mA/cm2 was 0.8 cd/A higher than that of the tandem OLEDs without a CGL. An increase in the current efficiency and a decrease in the operating voltage of the tandem OLEDs with a BEDT-TTF and an HAT-CN CGL were attributed to the enhancement of the electron injection due to its existence in the highest occupied molecular orbital level of the BEDT-TTF between the HAT-CN and the tris-(8-hydroxyquinoline)aluminum layer. PMID:26726464

  12. An exploration of an alternative rate structure as a means of integrating equity and efficiency in a municipally owned natural gas distribution utility

    SciTech Connect

    Lynch, D.A.

    1989-01-01

    After two decades of a somewhat golden age for gas utilities and regulators, the 1970's saw a changing energy market characterized by curtailments and allocations in the natural gas industry. The Natural Gas Policy Act of 1978 provided incentives for new supplies but at increased prices. During a period of rapidly calculating natural gas prices (1979-1984), municipal owned public utility operators were criticized for not meeting the needs of the poor and other deprived members of society. The thesis of this paper is that this criticism of operators of municipal owned natural gas utilities stemmed from the observer conceiving of the utility as a social agency of government. This paper investigates the background of the problem and public utilities' obligations because of their status as regulated monopolies. The municipal owned natural gas utility's responsibility in meeting the social functions of government are considered. This paper argues that such a utility should be viewed as a business not a societal agency. Use of a utility's rate structure for satisfying the dictates of a system of distributive justice is investigated. The attempts made by state and local governments (moratoriums on delinquent shutoffs, lifeline rates, etc.) have been ineffective and counter productive. The utility's duty to offer service to all who request it; without discrimination among people similarly situated; to the limit of its capacity is considered with consumers duty to pay just bills. Arguments show that the rate structure, not quantity delivered, is the crucial factor in assuring distributive justice. Pricing is viewed from a philosophical perspective also an economic perspective. The only need identified for equity and economic efficiency is in rate structures.

  13. New Insight into the Transcarbamylase Family: The Structure of Putrescine Transcarbamylase, a Key Catalyst for Fermentative Utilization of Agmatine

    PubMed Central

    Polo, Luis Mariano; Gil-Ortiz, Fernando; Cantín, Angel; Rubio, Vicente

    2012-01-01

    Transcarbamylases reversibly transfer a carbamyl group from carbamylphosphate (CP) to an amine. Although aspartate transcarbamylase and ornithine transcarbamylase (OTC) are well characterized, little was known about putrescine transcarbamylase (PTC), the enzyme that generates CP for ATP production in the fermentative catabolism of agmatine. We demonstrate that PTC (from Enterococcus faecalis), in addition to using putrescine, can utilize L-ornithine as a poor substrate. Crystal structures at 2.5 Å and 2.0 Å resolutions of PTC bound to its respective bisubstrate analog inhibitors for putrescine and ornithine use, N-(phosphonoacetyl)-putrescine and δ-N-(phosphonoacetyl)-L-ornithine, shed light on PTC preference for putrescine. Except for a highly prominent C-terminal helix that projects away and embraces an adjacent subunit, PTC closely resembles OTCs, suggesting recent divergence of the two enzymes. Since differences between the respective 230 and SMG loops of PTC and OTC appeared to account for the differential preference of these enzymes for putrescine and ornithine, we engineered the 230-loop of PTC to make it to resemble the SMG loop of OTCs, increasing the activity with ornithine and greatly decreasing the activity with putrescine. We also examined the role of the C-terminal helix that appears a constant and exclusive PTC trait. The enzyme lacking this helix remained active but the PTC trimer stability appeared decreased, since some of the enzyme eluted as monomers from a gel filtration column. In addition, truncated PTC tended to aggregate to hexamers, as shown both chromatographically and by X-ray crystallography. Therefore, the extra C-terminal helix plays a dual role: it stabilizes the PTC trimer and, by shielding helix 1 of an adjacent subunit, it prevents the supratrimeric oligomerizations of obscure significance observed with some OTCs. Guided by the structural data we identify signature traits that permit easy and unambiguous annotation of PTC sequences. PMID:22363663

  14. Co thickness dependence of structural and magnetic properties in spin quantum cross devices utilizing stray magnetic fields

    SciTech Connect

    Kaiju, H. Kasa, H.; Mori, S.; Misawa, T.; Abe, T.; Nishii, J.; Komine, T.

    2015-05-07

    We investigate the Co thickness dependence of the structural and magnetic properties of Co thin-film electrodes sandwiched between borate glasses in spin quantum cross (SQC) devices that utilize stray magnetic fields. We also calculate the Co thickness dependence of the stray field between the two edges of Co thin-film electrodes in SQC devices using micromagnetic simulation. The surface roughness of Co thin films with a thickness of less than 20 nm on borate glasses is shown to be as small as 0.18 nm, at the same scanning scale as the Co film thickness, and the squareness of the hysteresis loop is shown to be as large as 0.96–1.0. As a result of the establishment of polishing techniques for Co thin-film electrodes sandwiched between borate glasses, we successfully demonstrate the formation of smooth Co edges and the generation of stray magnetic fields from Co edges. Theoretical calculation reveals that a strong stray field beyond 6 kOe is generated when the Co thickness is greater than 10 nm at a junction gap distance of 5 nm. From these experimental and calculation results, it can be concluded that SQC devices with a Co thickness of 10–20 nm can be expected to function as spin-filter devices.

  15. Co thickness dependence of structural and magnetic properties in spin quantum cross devices utilizing stray magnetic fields

    NASA Astrophysics Data System (ADS)

    Kaiju, H.; Kasa, H.; Komine, T.; Mori, S.; Misawa, T.; Abe, T.; Nishii, J.

    2015-05-01

    We investigate the Co thickness dependence of the structural and magnetic properties of Co thin-film electrodes sandwiched between borate glasses in spin quantum cross (SQC) devices that utilize stray magnetic fields. We also calculate the Co thickness dependence of the stray field between the two edges of Co thin-film electrodes in SQC devices using micromagnetic simulation. The surface roughness of Co thin films with a thickness of less than 20 nm on borate glasses is shown to be as small as 0.18 nm, at the same scanning scale as the Co film thickness, and the squareness of the hysteresis loop is shown to be as large as 0.96-1.0. As a result of the establishment of polishing techniques for Co thin-film electrodes sandwiched between borate glasses, we successfully demonstrate the formation of smooth Co edges and the generation of stray magnetic fields from Co edges. Theoretical calculation reveals that a strong stray field beyond 6 kOe is generated when the Co thickness is greater than 10 nm at a junction gap distance of 5 nm. From these experimental and calculation results, it can be concluded that SQC devices with a Co thickness of 10-20 nm can be expected to function as spin-filter devices.

  16. Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio japonicus.

    PubMed

    Forsberg, Zarah; Nelson, Cassandra E; Dalhus, Bjørn; Mekasha, Sophanit; Loose, Jennifer S M; Crouch, Lucy I; Røhr, Åsmund K; Gardner, Jeffrey G; Eijsink, Vincent G H; Vaaje-Kolstad, Gustav

    2016-04-01

    Cellvibrio japonicusis a Gram-negative soil bacterium that is primarily known for its ability to degrade plant cell wall polysaccharides through utilization of an extensive repertoire of carbohydrate-active enzymes. Several putative chitin-degrading enzymes are also found among these carbohydrate-active enzymes, such as chitinases, chitobiases, and lytic polysaccharide monooxygenases (LPMOs). In this study, we have characterized the chitin-active LPMO,CjLPMO10A, a tri-modular enzyme containing a catalytic family AA10 LPMO module, a family 5 chitin-binding module, and a C-terminal unclassified module of unknown function. Characterization of the latter module revealed tight and specific binding to chitin, thereby unraveling a new family of chitin-binding modules (classified as CBM73). X-ray crystallographic elucidation of theCjLPMO10A catalytic module revealed that the active site of the enzyme combines structural features previously only observed in either cellulose or chitin-active LPMO10s. Analysis of the copper-binding site by EPR showed a signal signature more similar to those observed for cellulose-cleaving LPMOs. The full-length LPMO shows no activity toward cellulose but is able to bind and cleave both α- and β-chitin. Removal of the chitin-binding modules reduced LPMO activity toward α-chitin compared with the full-length enzyme. Interestingly, the full-length enzyme and the individual catalytic LPMO module boosted the activity of an endochitinase equally well, also yielding similar amounts of oxidized products. Finally, gene deletion studies show thatCjLPMO10A is needed byC. japonicusto obtain efficient growth on both purified chitin and crab shell particles. PMID:26858252

  17. Microbial resource utilization traits and trade-offs: implications for community structure, functioning, and biogeochemical impacts at present and in the future

    PubMed Central

    Litchman, Elena; Edwards, Kyle F.; Klausmeier, Christopher A.

    2015-01-01

    Trait-based approaches provide a mechanistic framework to understand and predict the structure and functioning of microbial communities. Resource utilization traits and trade-offs are among key microbial traits that describe population dynamics and competition among microbes. Several important trade-offs have been identified for prokaryotic and eukaryotic microbial taxa that define contrasting ecological strategies and contribute to species coexistence and diversity. The shape, dimensionality, and hierarchy of trade-offs may determine coexistence patterns and need to be better characterized. Laboratory measured resource utilization traits can be used to explain temporal and spatial structure and dynamics of natural microbial communities and predict biogeochemical impacts. Global environmental change can alter microbial community composition through altering resource utilization by different microbes and, consequently, may modify biogeochemical impacts of microbes. PMID:25904900

  18. Lignin-based monomers: Utilization in high-performance polymers and the effects of their structures on polymer properties

    NASA Astrophysics Data System (ADS)

    Stanzione, Joseph F., III

    With the uncertainty of petroleum reserves and future crude oil prices, lignocellulosic biomass is becoming an increasingly valuable resource for the sustainable development of fuels, chemicals, and materials, including vinyl ester resins (VERs). Petroleum-based VERs are used to produce polymer composites for a wide variety of commercial applications. Although possessing relatively high moduli, strengths, and glass transition temperatures, commercial VERs typically contain high concentrations of a reactive diluent, such as styrene. However, these reactive diluents are often considered hazardous air pollutants (HAPs), volatile organic compounds (VOCs), and anticipated carcinogens. Moreover, bisphenol-A, which has gained considerable attention due to potential associated health-related issues, is utilized as a precursor in the synthesis of VERs. A green chemistry and engineering approach in the development of new VERs and renewable reactive diluents that are based on lignin is presented in this dissertation. Lignin, which is currently an abundant, renewable waste product of the paper and pulping industry, is primarily burned as a low value fuel. However, lignin has the potential to be a low cost feedstock in future lignocellulosic biorefineries that could yield highly valuable aromatic chemicals (lignin model compounds, LMCs) when strategically depolymerized. The incorporation of aromaticity in a resin's chemical structure is known to improve overall polymer composite performance and the high aromatic content found in lignin is ideal for novel resin development. Highlighted in this dissertation are three projects: (1) the synthesis and characterization of a lignin-based bio-oil resin/reactive diluent, (2) the use of functionalized LMCs as styrene replacements in VERs, and (3) the synthesis and characterization of a vanillin-based resin. Through the use of traditional and new polymer theory coupled with spectroscopic, thermal, and mechanical techniques, structure-property relationships are identified and related to polymer performance. These findings have important implications for the optimization and design of polymer composites that are based on sustainable resources and processes, are petroleum-independent, and have reduced toxicity with beneficial environmental impacts. In addition, these findings provide the incentive for continued investment in using lignin as a respected materials' feedstock. Lastly, several lignin-related research opportunities of scientific and commercial interest are recommended.

  19. The Incremental Utility of Behavioral Rating Scales and a Structured Diagnostic Interview in the Assessment of Attention-Deficit/Hyperactivity Disorder

    ERIC Educational Resources Information Center

    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 =…

  20. The Incremental Utility of Behavioral Rating Scales and a Structured Diagnostic Interview in the Assessment of Attention-Deficit/Hyperactivity Disorder

    ERIC Educational Resources Information Center

    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 =

  1. Influencing Self-Reported Health among Rural Low-Income Women through Health Care and Social Service Utilization: A Structural Equation Model

    ERIC Educational Resources Information Center

    Bice-Wigington, Tiffany; Huddleston-Casas, Catherine

    2012-01-01

    Using structural equation modeling, this study examined the mesosystemic processes among rural low-income women, and how these processes subsequently influenced self-reported health. Acknowledging the behavioral processes inherent in utilization of health care and formal social support services, this study moved beyond a behavioral focus by…

  2. Investigations into the bovine serum albumin binding and fluorescence properties of Tb (III) complex of a novel 8-hydroxyquinoline ligand

    NASA Astrophysics Data System (ADS)

    Zhao, Mingming; Tang, Ruiren; Xu, Shuai

    2015-01-01

    A novel ligand, 2-methyl-6-(8-quinolinyl)-dicarboxylate pyridine (L), and its corresponding Tb (III) complex, Na4Tb(L)2Cl4·3H2O, were successfully prepared and characterized. The luminescence spectra showed that the ligand L was an efficient sensitizer for Tb (III) luminescence. The interaction of the complex with bovine serum albumin (BSA) was investigated through fluorescence spectroscopy under physiological conditions. The Stern-Volmer analysis indicated that the fluorescence quenching was resulted from static mechanism. The binding sites (n) approximated 1.0 and this meant that interaction of Na4Tb(L)2Cl4·3H2O with BSA had single binding site. The results showed van der Waals interactions and hydrogen bonds played major roles in the binding reaction. Furthermore, circular dichroism (CD) spectra indicated that the conformation of BSA was changed.

  3. Structure monitor system by using optical fiber sensor and watching camera in utility tunnel in urban area

    NASA Astrophysics Data System (ADS)

    Nakano, Masahiro; Torigoe, Toshihiko; Kawano, Masaru

    2011-09-01

    This paper reports the measurement results of the utility tunnel (electric power and communication) according to the adjacent expressway construction. And moreover, the surveillance camera for the monitor is connected to the network, set up in joint premises in this measurement, and it reports on the content observed overall.

  4. White organic light-emitting diodes based on tandem structures

    NASA Astrophysics Data System (ADS)

    Guo, Fawen; Ma, Dongge

    2005-10-01

    White organic light-emitting diodes made of two electroluminescent (EL) units connected by a charge generation layer were fabricated. Thus, with a tandem structure of indium tin oxide/N ,N'-di(naphthalene-1-yl)-N ,N'-diphenyl-benzidine (NPB)/9,10-bis-(β-naphthyl)-anthrene (ADN)/2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP)/tris(8-hydroxyquinoline) aluminum (Alq3)/BCP:Li/V2O5/NPB/Alq3:4-(dicyanomethylene)-2-t-butyle-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)4H-pyran (DCJTB)/Alq3/LiF/Al, a stable white light with Commission Internationale De L'Eclairage chromaticity coordinates from (0.35, 0.32) at 18V to (0.36, 0.36) at 50V was generated. It was clearly seen that the EL spectra consist of red band at 600nm due to DCJTB, green band at 505nm due to Alq3, and blue band at 435nm due to ADN, and the current efficiency and brightness equal basically to the sum of the two EL units. As a result, the tandem devices showed white light emission with a maximum brightness of 10200cd /m2 at a bias of 40V and a maximum current efficiency of 10.7cd/A at a current density of 3.5mA/cm2.

  5. Development of new cathepsin B inhibitors: combining bioisosteric replacements and structure-based design to explore the structure-activity relationships of nitroxoline derivatives.

    PubMed

    Sosič, Izidor; Mirković, Bojana; Arenz, Katharina; Stefane, Bogdan; Kos, Janko; Gobec, Stanislav

    2013-01-24

    Human cathepsin B has many house-keeping functions, such as protein turnover in lysosomes. However, dysregulation of its activity is associated with numerous diseases, including cancers. We present here the structure-based design and synthesis of new cathepsin B inhibitors using the cocrystal structure of 5-nitro-8-hydroxyquinoline in the cathepsin B active site. A focused library of over 50 compounds was prepared by modifying positions 5, 7, and 8 of the parent compound nitroxoline. The kinetic parameters and modes of inhibition were characterized, and the selectivities of the most promising inhibitors were determined. The best performing inhibitor 17 was effective in cell-based in vitro models of tumor invasion, where it significantly abrogated invasion of MCF-10A neoT cells. These data show that we have successfully explored the structure-activity relationships of nitroxoline derivatives to provide new inhibitors that could eventually lead to compounds with clinical usefulness against the deleterious effects of cathepsin B in cancer progression. PMID:23252745

  6. Labview utilities

    Energy Science and Technology Software Center (ESTSC)

    2011-09-30

    The software package provides several utilities written in LabView. These utilities don't form independent programs, but rather can be used as a library or controls in other labview programs. The utilities include several new controls (xcontrols), VIs for input and output routines, as well as other 'helper'-functions not provided in the standard LabView environment.

  7. Dynameomics: Data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction

    PubMed Central

    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

  8. Super-high density Si quantum dot thin film utilizing a gradient Si-rich oxide multilayer structure.

    PubMed

    Kuo, Kuang-Yang; Huang, Pin-Ruei; Lee, Po-Tsung

    2013-05-17

    A gradient Si-rich oxide multilayer (GSRO-ML) deposition structure is proposed to achieve super-high density Si quantum dot (QD) thin film formation while preserving QD size controllability for better photovoltaic properties. Our results indicate that the Si QD thin film using a GSRO-ML structure can efficiently increase the QD density and control the QD size. Its optical properties clearly promise the capability of effective bandgap engineering even though these QDs are closely formed. The Si QD thin film using a GSRO-ML structure obviously reveals better electro-optical properties than those using a [silicon dioxide/silicon-rich oxide] multilayer ([SiO2/SRO]-ML) structure owing to the better optical absorption and carrier transport properties. Therefore, we successfully demonstrate that our proposed GSRO-ML structure has great potential for application in solar cells integrating Si QD thin films. PMID:23579196

  9. International utilization and operations

    NASA Technical Reports Server (NTRS)

    Goldberg, Stanley R.

    1989-01-01

    The international framework of the Space Station Freedom Program is described. The discussion covers the U.S. space policy, international agreements, international Station elements, overall program management structure, and utilization and operations management. Consideration is also given to Freedom's user community, Freedom's crew, pressurized payload and attached payload accommodations, utilization and operations planning, user integration, and user operations.

  10. Assessing the utility of infrared spectroscopy as a structural diagnostic tool for β-sheets in self-assembling aromatic peptide amphiphiles.

    PubMed

    Fleming, Scott; Frederix, Pim W J M; Ramos Sasselli, Iván; Hunt, Neil T; Ulijn, Rein V; Tuttle, Tell

    2013-07-30

    β-Sheets are a commonly found structural motif in self-assembling aromatic peptide amphiphiles, and their characteristic "amide I" infrared (IR) absorption bands are routinely used to support the formation of supramolecular structure. In this paper, we assess the utility of IR spectroscopy as a structural diagnostic tool for this class of self-assembling systems. Using 9-fluorene-methyloxycarbonyl dialanine (Fmoc-AA) and the analogous 9-fluorene-methylcarbonyl dialanine (Fmc-AA) as examples, we show that the origin of the band around 1680-1695 cm(-1) in Fourier transform infrared (FTIR) spectra, which was previously assigned to an antiparallel β-sheet conformation, is in fact absorption of the stacked carbamate group in Fmoc-peptides. IR spectra from (13)C-labeled samples support our conclusions. In addition, DFT frequency calculations on small stacks of aromatic peptides help to rationalize these results in terms of the individual vibrational modes. PMID:23805919

  11. Structure-Property Relationships of Polymer Brushes in Restricted Geometries and their Utilization as Ultra-Low Lubricants

    SciTech Connect

    Kuhl, Tonya Lynn; Faller, Roland

    2015-09-28

    Though polymer films are widely used to modify or tailor the physical, chemical and mechanical properties of interfaces in both solid and liquid systems, the rational design of interface- or surface-active polymer modifiers has been hampered by a lack of information about the behavior and structure-property relationships of this class of molecules. This is especially true for systems in which the role of the polymer is to modify the interaction between two solid surfaces in intimate contact and under load, to cause them to be mechanically coupled (e.g. to promote adhesion and wetting) or to minimize their interaction (e.g. lubrication, colloidal stabilization, etc.). Detailed structural information on these systems has largely been precluded by the many difficulties and challenges associated with direct experimental measurements of polymer structure in these geometries. As a result, many practitioners have been forced to employ indirect measurements or rely wholly on theoretical modeling. This has resulted in an incomplete understanding of the structure-property relationships, which are relied upon for the rational design of improved polymer modifiers. Over the course of this current research program, we made direct measurements of the structure of polymers at the interface between two solid surfaces under confinement and elucidated the fundamental physics behind these phenomena using atomistic and coarse grained simulations. The research has potential to lead to new lubricants and wear reducing agents to improve efficiency.

  12. THE CONSTRUCTION COST ESTIMATE SYSTEM THAT UTILIZES TECHINICAL PROPOSALS IN THE IMPROVEMENT CONSTRUCTION OF THE RAILWAY STRUCTURES

    NASA Astrophysics Data System (ADS)

    Seki, Yutaka

    JR East has been made start as a new railway company in line with the reform policy of the Japan national railway in 1987. Along with it, JR have beam required the management emphasizing on the efficiency and quickness as a private enterprise. On the other hand, construction companies have remarkably made progress on the construction technology in recent years. Under the circumstance, we tried to establish the construction cost estimates of the railway improvements utilizing the technical proposals based on high technologies by innovative construction companies. In conclusion, we obtained a construction cost reduction and process speeded by the number of technical proposals and we also had acquired the effect of quality and efficiency in the construction cost estimates.

  13. A model for utilization of oxygen isotopes and ecologic logs (Ecologs) in regional correlation and interpretation of structural history

    SciTech Connect

    De Felice, D.R.; Lynts, G.W.

    1984-05-01

    Sea level changes may be graphically illustrated utilizing ecologs, which are constructed by plotting paleobathymetric well data against depth in a well. Theoretically, each ecolog cycle is the result of the interaction of eustacy and regional vertical movements. Although ecologs are generally used to illustrate changes in sea level, they can be used for stratigraphic correlation. Differences in ecolog cycles among wells may be just as important as their similarities. In theory eustacy is a constant that can be substracted from relative sea level change to delineate regional vertical movement. During the Neogene, oxygen isotope ratio cycles represent a record of paleoglaciation and, therefore, eustacy. Therefore, oxygen isotope ratios may be used in conjunction with ecologs to distinquish between eustatic events and regional vertical movement in Neogene stratigraphic sections.

  14. A magnetic-piezoelectric smart material-structure utilizing magnetic force interaction to optimize the sensitivity of current sensing

    NASA Astrophysics Data System (ADS)

    Yeh, Po-Chen; Chung, Tien-Kan; Lai, Chen-Hung; Wang, Chieh-Min

    2016-01-01

    This paper presents a magnetic-piezoelectric smart material-structure using a novel magnetic-force-interaction approach to optimize the sensitivity of conventional piezoelectric current sensing technologies. The smart material-structure comprises a CuBe-alloy cantilever beam, a piezoelectric PZT sheet clamped to the fixed end of the beam, and an NdFeB permanent magnet mounted on the free end of the beam. When the smart material-structure is placed close to an AC conductor, the magnet on the beam of the smart structure experiences an alternating magnetic attractive and repulsive force produced by the conductor. Thus, the beam vibrates and subsequently generates a strain in the PZT sheet. The strain produces a voltage output because of the piezoelectric effect. The magnetic force interaction is specifically enhanced through the optimization approach (i.e., achieved by using SQUID and machining method to reorient the magnetization to different directions to maximize the magnetic force interaction). After optimizing, the beam's vibration amplitude is significantly enlarged and, consequently, the voltage output is substantially increased. The experimental results indicated that the smart material-structure optimized by the proposed approach produced a voltage output of 4.01 Vrms with a sensitivity of 501 m Vrms/A when it was placed close to a conductor with a current of 8 A at 60 Hz. The optimized voltage output and sensitivity of the proposed smart structure were approximately 316 % higher than those (1.27 Vrms with 159 m Vrms/A) of representative piezoelectric-based current sensing technologies presented in other studies. These improvements can significantly enable the development of more self-powered wireless current sensing applications in the future.

  15. Biofunctional constituent isolated from Citrullus colocynthis fruits and structure-activity relationships of its analogues show acaricidal and insecticidal efficacy.

    PubMed

    Jeon, Ju-Hyun; Lee, Hoi-Seon

    2014-08-27

    The acaricidal and insecticidal potential of the active constituent isolated from Citrullus colocynthis fruits and its structurally related analogues was evaluated by performing leaf disk, contact toxicity, and fumigant toxicity bioassays against Tetranychus urticae, Sitophilus oryzae, and Sitophilus zeamais adults. The active constituent of C. colocynthis fruits was isolated by chromatographic techniques and was identified as 4-methylquinoline on the basis of spectroscopic analyses. To investigate the structure-activity relationships, 4-methylquinoline and its structural analogues were tested against mites and two insect pests. On the basis of the LC50 values, 7,8-benzoquinoline was the most effective against T. urticae. Quinoline, 8-hydroxyquinoline, 2-methylquinoline, 4-methylquinoline, 6-methylquinoline, 8-methylquinoline, and 7,8-benzoquinoline showed high insecticidal activities against S. oryzae and S. zeamais regardless of the application method. These results indicate that introduction of a functional group into the quinoline skeleton and changing the position of the group have an important influence on the acaricidal and insecticidal activities. Furthermore, 4-methylquinoline isolated from C. colocynthis fruits, along with its structural analogues, could be effective natural pesticides for managing spider mites and stored grain weevils. PMID:25110971

  16. Structural and spectroscopic characterizations of tetra-nuclear niobium(V) complexes of quinolinol derivatives.

    PubMed

    Amini, Mostafa M; Fazaeli, Yousef; Mohammadnezhad, Gholamhossein; Khavasi, Hamid Reza

    2015-06-01

    Reactions between niobium ethoxide and 8-hydroxy-2-methylquinoline or 5-chloro-8-hydroxyquinoline have been explored. Two new tetranuclear heteroleptic niobium complexes containing oxo, ethoxo, and quinolinate chelate rings have been synthesized and characterized by (1)H, (13)C and (93)Nb NMR, UV-Vis, and FT-IR spectroscopies, and single-crystal X-ray diffraction. The molecular structures of the niobium complexes, [Nb4(μ-O)4(μ-OEt)2(ONC10H8)2(OEt)8] (I) and [Nb4(μ-O)4(μ-OEt)2(ONC9H5Cl)2(OEt)8] (II), are composed of a pair of edge-sharing bioctahedral moieties in which connected via two almost linear oxo-bridges, with a large difference in the NbO distances. Single-crystal structures showed both complexes are centrosymmetric and contain two distinct Nb centers, and results confirmed by observation of two niobium signals in the (93)Nb NMR spectra of complexes. PMID:25756687

  17. Structural and spectroscopic characterizations of tetra-nuclear niobium(V) complexes of quinolinol derivatives

    NASA Astrophysics Data System (ADS)

    Amini, Mostafa M.; Fazaeli, Yousef; Mohammadnezhad, Gholamhossein; Khavasi, Hamid Reza

    2015-06-01

    Reactions between niobium ethoxide and 8-hydroxy-2-methylquinoline or 5-chloro-8-hydroxyquinoline have been explored. Two new tetranuclear heteroleptic niobium complexes containing oxo, ethoxo, and quinolinate chelate rings have been synthesized and characterized by 1H, 13C and 93Nb NMR, UV-Vis, and FT-IR spectroscopies, and single-crystal X-ray diffraction. The molecular structures of the niobium complexes, [Nb4(μ-O)4(μ-OEt)2(ONC10H8)2(OEt)8] (I) and [Nb4(μ-O)4(μ-OEt)2(ONC9H5Cl)2(OEt)8] (II), are composed of a pair of edge-sharing bioctahedral moieties in which connected via two almost linear oxo-bridges, with a large difference in the NbO distances. Single-crystal structures showed both complexes are centrosymmetric and contain two distinct Nb centers, and results confirmed by observation of two niobium signals in the 93Nb NMR spectra of complexes.

  18. Improved optical transmission and current matching of a triple-junction solar cell utilizing sub-wavelength structures.

    PubMed

    Chiu, M-Y; Chang, C-H; Tsai, M-A; Chang, F-Y; Yu, Peichen

    2010-09-13

    Sub-wavelength antireflective structures are fabricated on a silicon nitride passivation layer of a Ga₀.₅In₀.₅P/GaAs/Ge triple-junction solar cell using polystyrene nanosphere lithography followed by anisotropic etching. The fabricated structures enhance optical transmission in the ultraviolet wavelength range, compared to a conventional single-layer antireflective coating (ARC). The transmission improvement contributes to an enhanced photocurrent, which is also verified by the external quantum efficiency characterization of the fabricated solar cells. Under one-sun illumination, the short-circuit current of a cell with sub-wavelength structures is enhanced by 46.1% and 3.4% due to much improved optical transmission and current matching, compared to cells without an ARC and with a conventional SiN(x) ARC, respectively. Further optimizations of the sub-wavelength structures including the periodicity and etching depth are conducted by performing comprehensive calculations based on a rigorous couple-wave analysis method. PMID:21165062

  19. Monte Carlo simulation of ionizing radiation induced DNA strand breaks utilizing coarse grained high-order chromatin structures

    NASA Astrophysics Data System (ADS)

    Liang, Ying; Yang, Gen; Liu, Feng; Wang, Yugang

    2016-01-01

    Ionizing radiation threatens genome integrity by causing DNA damage. Monte Carlo simulation of the interaction of a radiation track structure with DNA provides a powerful tool for investigating the mechanisms of the biological effects. However, the more or less oversimplification of the indirect effect and the inadequate consideration of high-order chromatin structures in current models usually results in discrepancies between simulations and experiments, which undermine the predictive role of the models. Here we present a biophysical model taking into consideration factors that influence indirect effect to simulate radiation-induced DNA strand breaks in eukaryotic cells with high-order chromatin structures. The calculated yields of single-strand breaks and double-strand breaks (DSBs) for photons are in good agreement with the experimental measurements. The calculated yields of DSB for protons and α particles are consistent with simulations by the PARTRAC code, whereas an overestimation is seen compared with the experimental results. The simulated fragment size distributions for 60Co γ irradiation and α particle irradiation are compared with the measurements accordingly. The excellent agreement with 60Co irradiation validates our model in simulating photon irradiation. The general agreement found in α particle irradiation encourages model applicability in the high linear energy transfer range. Moreover, we demonstrate the importance of chromatin high-order structures in shaping the spectrum of initial damage.

  20. Genetic diversity, population structure, conservation and utilization of Theobroma cacao L., genetic resources in the Dominican Republic

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cacao (Theobroma cacao L.) is a significant agricultural commodity in the Dominican Republic, which ranks 11th in the world and number one in organic cacao exports. In an effort to identify propagation mistakes, and estimate genetic diversity and population structure in cacao germplasm accessions a...

  1. Utilization of high resolution computed tomography to visualize the three dimensional structure and function of plant vasculature

    Technology Transfer Automated Retrieval System (TEKTRAN)

    High resolution x-ray computed tomography (HRCT) is a non-destructive diagnostic imaging technique with sub-micron resolution capability that is now being used to evaluate the structure and function of plant xylem network in three dimensions (3D). HRCT imaging is based on the same principles as medi...

  2. Investigation on the near-wake flow structures of a utility-scale wind turbine using snowflake based flow visualization

    NASA Astrophysics Data System (ADS)

    Dasari, Teja; Toloui, Mostafa; Guala, Michele; Hong, Jiarong

    2015-11-01

    Super-large-scale particle image velocimetry and flow visualization techniques using natural snow particles have been shown as an effective tool to probe the structure of the flow around full-scale wind turbines (Hong et al. Nature Comm. 2014). Here we present a follow-up study based on the data collected during a deployment around the 2.5 MW wind turbine at EOLOS Wind Energy Research Station on April, 4th, 2014. The dataset includes the snow visualization of flow fields from different perspectives in the near wake of the turbine. The motions of the dominant coherent structures including tip, blade root, hub and tower vortices, represented by the snow voids, are examined with the objective of quantifying and correlating their behavior with the meteorological and turbine operating conditions. Some preliminary studies on flow-structure interaction are also performed by correlating the data from strain gauges, accelerometers mounted on the turbine blades, with the flow measurements. The statistical analysis of the motions of blade induced vortices shows a clear impact of atmospheric turbulence and vortex interaction on flow development in the near wake. The result further indicates a strong connection between near-wake vorticity field, turbine operation and structure deformations. The work was supported by National Science Foundation (NSF-CBET-1454259) and the research infrastructure was supported by Department of Energy.

  3. An Inverse Interpolation Method Utilizing In-Flight Strain Measurements for Determining Loads and Structural Response of Aerospace Vehicles

    NASA Technical Reports Server (NTRS)

    Shkarayev, S.; Krashantisa, R.; Tessler, A.

    2004-01-01

    An important and challenging technology aimed at the next generation of aerospace vehicles is that of structural health monitoring. The key problem is to determine accurately, reliably, and in real time the applied loads, stresses, and displacements experienced in flight, with such data establishing an information database for structural health monitoring. The present effort is aimed at developing a finite element-based methodology involving an inverse formulation that employs measured surface strains to recover the applied loads, stresses, and displacements in an aerospace vehicle in real time. The computational procedure uses a standard finite element model (i.e., "direct analysis") of a given airframe, with the subsequent application of the inverse interpolation approach. The inverse interpolation formulation is based on a parametric approximation of the loading and is further constructed through a least-squares minimization of calculated and measured strains. This procedure results in the governing system of linear algebraic equations, providing the unknown coefficients that accurately define the load approximation. Numerical simulations are carried out for problems involving various levels of structural approximation. These include plate-loading examples and an aircraft wing box. Accuracy and computational efficiency of the proposed method are discussed in detail. The experimental validation of the methodology by way of structural testing of an aircraft wing is also discussed.

  4. Television Utilization.

    ERIC Educational Resources Information Center

    Dobosh, O.; Wright, E. N.

    The utilization of educational television (ETV) in schools can be ascertained by considering the teacher training in ETV, the extent of access to ETV, the student reaction, and the programing. Using a questionnaire survey method combined with detailed ETV logs, this study was able to analyze both ETV and film utilization in 13 elementary and…

  5. Construction of Zinc Oxide into Different Morphological Structures to Be Utilized as Antimicrobial Agent against Multidrug Resistant Bacteria

    PubMed Central

    Elkady, M. F.; Shokry Hassan, H.; Hafez, Elsayed E.; Fouad, Ahmed

    2015-01-01

    Nano-ZnO has been successfully implemented in particles, rods, and tubes nanostructures via sol-gel and hydrothermal techniques. The variation of the different preparation parameters such as reaction temperature, time, and stabilizer agents was optimized to attain different morphological structures. The influence of the microwave annealing process on ZnO crystallinity, surface area, and morphological structure was monitored using XRD, BET, and SEM techniques, respectively. The antimicrobial activity of zinc oxide produced in nanotubes structure was examined against four different multidrug resistant bacteria: Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) strains. The activity of produced nano-ZnO was determined by disc diffusion technique and the results revealed that ZnO nanotubes recorded high activity against the studied strains due to their high surface area equivalent to 17.8 m2/g. The minimum inhibitory concentration (MIC) of ZnO nanotubes showed that the low concentrations of ZnO nanotubes could be a substitution for the commercial antibiotics when approached in suitable formula. Although the annealing process of ZnO improves the degree of material crystallinity, however, it declines its surface area and consequently its antimicrobial activity. PMID:26451136

  6. Identifying Individuals at High Risk of Psychosis: Predictive Utility of Support Vector Machine using Structural and Functional MRI Data.

    PubMed

    Valli, Isabel; Marquand, Andre F; Mechelli, Andrea; Raffin, Marie; Allen, Paul; Seal, Marc L; McGuire, Philip

    2016-01-01

    The identification of individuals at high risk of developing psychosis is entirely based on clinical assessment, associated with limited predictive potential. There is, therefore, increasing interest in the development of biological markers that could be used in clinical practice for this purpose. We studied 25 individuals with an at-risk mental state for psychosis and 25 healthy controls using structural MRI, and functional MRI in conjunction with a verbal memory task. Data were analyzed using a standard univariate analysis, and with support vector machine (SVM), a multivariate pattern recognition technique that enables statistical inferences to be made at the level of the individual, yielding results with high translational potential. The application of SVM to structural MRI data permitted the identification of individuals at high risk of psychosis with a sensitivity of 68% and a specificity of 76%, resulting in an accuracy of 72% (p < 0.001). Univariate volumetric between-group differences did not reach statistical significance. By contrast, the univariate fMRI analysis identified between-group differences (p < 0.05 corrected), while the application of SVM to the same data did not. Since SVM is well suited at identifying the pattern of abnormality that distinguishes two groups, whereas univariate methods are more likely to identify regions that individually are most different between two groups, our results suggest the presence of focal functional abnormalities in the context of a diffuse pattern of structural abnormalities in individuals at high clinical risk of psychosis. PMID:27092086

  7. Identifying Individuals at High Risk of Psychosis: Predictive Utility of Support Vector Machine using Structural and Functional MRI Data

    PubMed Central

    Valli, Isabel; Marquand, Andre F.; Mechelli, Andrea; Raffin, Marie; Allen, Paul; Seal, Marc L.; McGuire, Philip

    2016-01-01

    The identification of individuals at high risk of developing psychosis is entirely based on clinical assessment, associated with limited predictive potential. There is, therefore, increasing interest in the development of biological markers that could be used in clinical practice for this purpose. We studied 25 individuals with an at-risk mental state for psychosis and 25 healthy controls using structural MRI, and functional MRI in conjunction with a verbal memory task. Data were analyzed using a standard univariate analysis, and with support vector machine (SVM), a multivariate pattern recognition technique that enables statistical inferences to be made at the level of the individual, yielding results with high translational potential. The application of SVM to structural MRI data permitted the identification of individuals at high risk of psychosis with a sensitivity of 68% and a specificity of 76%, resulting in an accuracy of 72% (p < 0.001). Univariate volumetric between-group differences did not reach statistical significance. By contrast, the univariate fMRI analysis identified between-group differences (p < 0.05 corrected), while the application of SVM to the same data did not. Since SVM is well suited at identifying the pattern of abnormality that distinguishes two groups, whereas univariate methods are more likely to identify regions that individually are most different between two groups, our results suggest the presence of focal functional abnormalities in the context of a diffuse pattern of structural abnormalities in individuals at high clinical risk of psychosis. PMID:27092086

  8. Construction of Zinc Oxide into Different Morphological Structures to Be Utilized as Antimicrobial Agent against Multidrug Resistant Bacteria.

    PubMed

    Elkady, M F; Shokry Hassan, H; Hafez, Elsayed E; Fouad, Ahmed

    2015-01-01

    Nano-ZnO has been successfully implemented in particles, rods, and tubes nanostructures via sol-gel and hydrothermal techniques. The variation of the different preparation parameters such as reaction temperature, time, and stabilizer agents was optimized to attain different morphological structures. The influence of the microwave annealing process on ZnO crystallinity, surface area, and morphological structure was monitored using XRD, BET, and SEM techniques, respectively. The antimicrobial activity of zinc oxide produced in nanotubes structure was examined against four different multidrug resistant bacteria: Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) strains. The activity of produced nano-ZnO was determined by disc diffusion technique and the results revealed that ZnO nanotubes recorded high activity against the studied strains due to their high surface area equivalent to 17.8 m(2)/g. The minimum inhibitory concentration (MIC) of ZnO nanotubes showed that the low concentrations of ZnO nanotubes could be a substitution for the commercial antibiotics when approached in suitable formula. Although the annealing process of ZnO improves the degree of material crystallinity, however, it declines its surface area and consequently its antimicrobial activity. PMID:26451136

  9. Utilizing Nano-focussed Bremstrahlung Isochromat Spectroscopy (nBIS) to Determine the Unoccupied Electronic Structure of Pu

    SciTech Connect

    Butterfield, M T; Tobin, J G; Teslich, N E; Bliss, R A; Wall, M A; McMahan, A K; Chung, B W; Schwartz, A J; Kutepov, A L

    2005-11-01

    Understanding the behavior of 5f electrons remains an unrealized ambition of condensed matter physics [1,2]. Recently, there has been a large amount of interest in the actinides, particularly plutonium, driven by the complex and intriguing behavior of Pu and several of its compounds [3-5]. This has prompted both theoretical and experimental investigations of 5f metals and compounds. Of the different allotropes of Pu, the d-phase is of particular interest because of the high symmetry crystal structure and the stability of the phase to low temperatures when alloyed with small amounts of trivalent elements. Consequently much of the recent experimental and theoretical work has focused on this allotrope. From an experimental point of view, the reactivity and radioactivity of Pu, and the complexity of the phase diagram, make it exceedingly complicated to collect high-quality data. Investigations of these complex behaviors all point back to being caused by the intriguing interplay of the various electron states and in particular the behavior of the 5f states. While there are a number of ongoing experimental efforts directed at determining the occupied electronic structure of Pu, there is essentially no experimental data on the unoccupied electronic structure of Pu. We aim to determine the conduction band (unoccupied) electronic structure of Pu and other actinides in a phase specific fashion and emphasizing bulk contributions by using Nano-focussed Bremstrahlung Isochromat Spectroscopy (nBIS). Bremstrahlung Isochromat Spectroscopy (BIS) is the high-energy variant of inverse photoelectron spectroscopy (IPES: electron in, photon out), which is essentially the time reversal of photoelectron spectroscopy (photon in, electron out). IPES can be used to follow the dispersion of electronic states in ordered samples. Owing to its low energies, IPES is usually very surface sensitive. However, by working at higher energies (>200 eV), we will sample preferentially for bulk properties, downgrading the impact of surface effects. Thus, from BIS, we would have a direct measure of the conduction band or unoccupied electronic structure of the bulk Pu.

  10. Relating indices of knowledge structure coherence and accuracy to skill-based performance: Is there utility in using a combination of indices?

    PubMed

    Schuelke, Matthew J; Day, Eric Anthony; McEntire, Lauren E; Boatman, Jazmine Espejo; Wang, Xiaoqian; Kowollik, Vanessa; Boatman, Paul R

    2009-07-01

    The authors examined the relative criterion-related validity of knowledge structure coherence and two accuracy-based indices (closeness and correlation) as well as the utility of using a combination of knowledge structure indices in the prediction of skill acquisition and transfer. Findings from an aggregation of 5 independent samples (N = 958) whose participants underwent training on a complex computer simulation indicated that coherence and the accuracy-based indices yielded comparable zero-order predictive validities. Support for the incremental validity of using a combination of indices was mixed; the most, albeit small, gain came in pairing coherence and closeness when predicting transfer. After controlling for baseline skill, general mental ability, and declarative knowledge, only coherence explained a statistically significant amount of unique variance in transfer. Overall, the results suggested that the different indices largely overlap in their representation of knowledge organization, but that coherence better reflects adaptable aspects of knowledge organization important to skill transfer. PMID:19594246

  11. Edge geometry superconducting tunnel junctions utilizing an NbN/MgO/NbN thin film structure

    NASA Technical Reports Server (NTRS)

    Hunt, Brian D. (Inventor); Leduc, Henry G. (Inventor)

    1992-01-01

    An edge defined geometry is used to produce very small area tunnel junctions in a structure with niobium nitride superconducting electrodes and a magnesium oxide tunnel barrier. The incorporation of an MgO tunnel barrier with two NbN electrodes results in improved current-voltage characteristics, and may lead to better junction noise characteristics. The NbN electrodes are preferably sputter-deposited, with the first NbN electrode deposited on an insulating substrate maintained at about 250 C to 500 C for improved quality of the electrode.

  12. Edge geometry superconducting tunnel junctions utilizing an NbN/MgO/NbN thin film structure

    NASA Technical Reports Server (NTRS)

    Hunt, Brian D. (Inventor); Leduc, Henry G. (Inventor)

    1989-01-01

    An edge defined geometry is used to produce very small area tunnel junctions in a structure with niobium nitride superconducting electrodes and a magnesium oxide tunnel barrier. The incorporation of an MgO tunnel barrier with two NbN electrodes results in improved current-voltage characteristics, and may lead to better junction noise characteristics. The NbN electrodes are preferably sputter-deposited, with the first NbN electrode deposited on an insulating substrate maintained at about 250 to 500 C for improved quality of the electrode.

  13. Control of sound and vibration for cylindrical shells by utilizing a periodic structure of functionally graded material

    NASA Astrophysics Data System (ADS)

    Shen, Huijie; Wen, Jihong; Païdoussis, Michael P.; Yu, Dianlong; Asgari, Meisam; Wen, Xisen

    2012-10-01

    A periodic shell made of functionally graded material (FGM) is proposed in this Letter. Wave propagation and vibration transmission in the FGM periodic shell for different circumferential modes are investigated. By illustrating the dynamical behavior of the periodic FGM shell within the pass/stop band frequency ranges, the mechanism of wave propagation and vibration transmission in the shell are illuminated. Moreover, the suppression characteristics of structure-borne sound in the internal field of the shell, either within the stop or pass band frequency ranges, are studied.

  14. Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.

    PubMed

    Shah, Manish B; Liu, Jingbao; Huo, Lu; Zhang, Qinghai; Dearing, M Denise; Wilderman, P Ross; Szklarz, Grazyna D; Stout, C David; Halpert, James R

    2016-04-01

    Crystal structures of CYP2B35 and CYP2B37 from the desert woodrat were solved in complex with 4-(4-chlorophenyl)imidazole (4-CPI). The closed conformation of CYP2B35 contained two molecules of 4-CPI within the active site, whereas the CYP2B37 structure demonstrated an open conformation with three 4-CPI molecules, one within the active site and the other two in the substrate access channel. To probe structure-function relationships of CYP2B35, CYP2B37, and the related CYP2B36, we tested the O-dealkylation of three series of related substrates-namely, 7-alkoxycoumarins, 7-alkoxy-4-(trifluoromethyl)coumarins, and 7-alkoxy-4-methylcoumarins-with a C1-C7 side chain. CYP2B35 showed the highest catalytic efficiency (kcat/KM) with 7-heptoxycoumarin as a substrate, followed by 7-hexoxycoumarin. In contrast, CYP2B37 showed the highest catalytic efficiency with 7-ethoxy-4-(trifluoromethyl)coumarin (7-EFC), followed by 7-methoxy-4-(trifluoromethyl)coumarin (7-MFC). CYP2B35 had no dealkylation activity with 7-MFC or 7-EFC. Furthermore, the new CYP2B-4-CPI-bound structures were used as templates for docking the 7-substituted coumarin derivatives, which revealed orientations consistent with the functional studies. In addition, the observation of multiple -Cl and -NH-π interactions of 4-CPI with the aromatic side chains in the CYP2B35 and CYP2B37 structures provides insight into the influence of such functional groups on CYP2B ligand binding affinity and specificity. To conclude, structural, computational, and functional analysis revealed striking differences between the active sites of CYP2B35 and CYP2B37 that will aid in the elucidation of new structure-activity relationships. PMID:26826176

  15. Motives for marijuana use among heavy-using high school students: An analysis of structure and utility of the Comprehensive Marijuana Motives Questionnaire.

    PubMed

    Blevins, Claire E; Banes, Kelsey E; Stephens, Robert S; Walker, Denise D; Roffman, Roger A

    2016-06-01

    Motives for marijuana use are important predictors of problematic outcomes associated with marijuana use. Most measures, to date, were developed by adapting alcohol motives measures. However, the Comprehensive Marijuana Motives Questionnaire (CMMQ) was created using a bottom-up approach to evaluate twelve distinct motives for use. The CMMQ was developed and validated in a normative college population. As such, no known study has evaluated the factor structure and utility of the CMMQ in a heavy-using, high school student population. The current study utilized a sample of 252 heavy marijuana-using high school students recruited for a combination motivational enhancement/cognitive behavioral intervention. Results from baseline measures indicated that the factor structure of the CMMQ was maintained in this population. Results from multiple regression analyses revealed distinct relationships with measures of negative consequences of use, including indices of marijuana use, marijuana-related problems, self-efficacy, and internalizing and externalizing symptoms. In particular, the Coping motive was associated with several negative outcomes, which is consistent with previous marijuana and alcohol motives literature. Results suggest that the CMMQ may be useful in assessing marijuana motives among heavy marijuana-using adolescents. PMID:26878304

  16. Utility diversification

    SciTech Connect

    Kahn, A.E.

    1982-01-01

    A review of the available evidence of the effect of diversification on a utility's financial attractiveness suggests that diversified gas companies have higher earnings, better credit ratings, and more marketable securities than do the less diversified utilities. Regulatory commissions must, however, always be alert to ways in which a company's unregulated activities might adversely affect consumers of the regulated service. Once assured that the service customers are adequately protected, the commission should neither review the specific ventures of unregulated subsidiaries nor become involved in regulating their security issuances or dividend payments. In general, utility diversification should be subject only to managerial discretion and the discipline of the market.

  17. Utility diversification

    SciTech Connect

    Kahn, A.E.

    1983-01-01

    A review of the available evidence of the effect of diversification on a utility's financial attractiveness suggests that diversified gas companies have higher earnings, better credit ratings, and more marketable securities than do the less diversified utilities. Regulatory commissions must, however, always be alert to ways in which a company's unregulated activities might adversely affect recipients of the regulated service. Once assured that the service customers are adequately protected, the commission should neither review the specific ventures of unregulated subsidiaries nor become involved in regulating their security issuances or dividend payments. In general, utility diversification should be subject only to managerial discretion and the discipline of the market.

  18. High-resolution structural insights into bone: a solid-state NMR relaxation study utilizing paramagnetic doping.

    PubMed

    Mroue, Kamal H; MacKinnon, Neil; Xu, Jiadi; Zhu, Peizhi; McNerny, Erin; Kohn, David H; Morris, Michael D; Ramamoorthy, Ayyalusamy

    2012-09-27

    The hierarchical heterogeneous architecture of bone imposes significant challenges to structural and dynamic studies conducted by traditional biophysical techniques. High-resolution solid-state nuclear magnetic resonance (SSNMR) spectroscopy is capable of providing detailed atomic-level structural insights into such traditionally challenging materials. However, the relatively long data-collection time necessary to achieve a reliable signal-to-noise ratio (S/N) remains a major limitation for the widespread application of SSNMR on bone and related biomaterials. In this study, we attempt to overcome this limitation by employing the paramagnetic relaxation properties of copper(II) ions to shorten the (1)H intrinsic spin-lattice (T(1)) relaxation times measured in natural-abundance (13)C cross-polarization (CP) magic-angle-spinning (MAS) NMR experiments on bone tissues for the purpose of accelerating the data acquisition time in SSNMR. To this end, high-resolution solid-state (13)C CPMAS experiments were conducted on type I collagen (bovine tendon), bovine cortical bone, and demineralized bovine cortical bone, each in powdered form, to measure the (1)H T(1) values in the absence and in the presence of 30 mM Cu(II)(NH(4))(2)EDTA. Our results show that the (1)H T(1) values were successfully reduced by a factor of 2.2, 2.9, and 3.2 for bovine cortical bone, type I collagen, and demineralized bone, respectively, without reducing the spectral resolution and thus enabling faster data acquisition. In addition, paramagnetic quenching of particular (13)C NMR resonances on exposure to Cu(2+) ions in the absence of mineral was also observed, potentially suggesting the relative proximity of three main amino acids in the protein backbone (glycine, proline, and alanine) to the bone mineral surface. PMID:22953757

  19. Effects of interface microstructure on magnetotransport in organic spin valve structures

    NASA Astrophysics Data System (ADS)

    Liu, Yaohua; Lee, Taegweon; Katz, H. E.; Reich, D. H.; Watson, S. M.; Borchers, J. A.

    2009-03-01

    Organic semiconductors hold promise for spintronics because of their potentially long spin diffusion length. We have studied Fe/Alq3 (tris(8-hydroxyquinoline) aluminum)/Co multilayer films with Alq3 thickness in the range 50 to 150 nm.[1] Similar to previously reported results, we found considerable variability in the magnetotransport properties for cross junctions made in nominally identical conditions. To explore the sources of these effects, we studied the microstructure of such multilayer films by X-ray reflectometry and polarized neutron reflectometry (PNR). We found that the films show well-defined layers with limited chemical intermixing (3-5 nm) at the Alq3/ferromagnet (FM) interfaces. However, larger magnetoresistance (MR) is associated with sharper Alq3/FM interfaces, and with a magnetically dead Fe-rich region at the Alq3/Fe interface, which may potentially circumvent the resistivity mismatch problem. The PNR data also show that the Co layer on top of the Alq3 can adopt a multi-domain magnetic structure at low field and a perfect anti-parallel state is not obtained. [1] Y. Liu et al., arXiv:0810.0289v1.

  20. Enzymology and Structure of the GH13_31 Glucan 1,6-α-Glucosidase That Confers Isomaltooligosaccharide Utilization in the Probiotic Lactobacillus acidophilus NCFM

    PubMed Central

    Møller, Marie S.; Fredslund, Folmer; Majumder, Avishek; Nakai, Hiroyuki; Poulsen, Jens-Christian N.; Lo Leggio, Leila; Svensson, Birte

    2012-01-01

    Isomaltooligosaccharides (IMO) have been suggested as promising prebiotics that stimulate the growth of probiotic bacteria. Genomes of probiotic lactobacilli from the acidophilus group, as represented by Lactobacillus acidophilus NCFM, encode α-1,6 glucosidases of the family GH13_31 (glycoside hydrolase family 13 subfamily 31) that confer degradation of IMO. These genes reside frequently within maltooligosaccharide utilization operons, which include an ATP-binding cassette transporter and α-glucan active enzymes, e.g., maltogenic amylases and maltose phosphorylases, and they also occur separated from any carbohydrate transport or catabolism genes on the genomes of some acidophilus complex members, as in L. acidophilus NCFM. Besides the isolated locus encoding a GH13_31 enzyme, the ABC transporter and another GH13 in the maltooligosaccharide operon were induced in response to IMO or maltotetraose, as determined by reverse transcription-PCR (RT-PCR) transcriptional analysis, suggesting coregulation of α-1,6- and α-1,4-glucooligosaccharide utilization loci in L. acidophilus NCFM. The L. acidophilus NCFM GH13_31 (LaGH13_31) was produced recombinantly and shown to be a glucan 1,6-α-glucosidase active on IMO and dextran and product-inhibited by glucose. The catalytic efficiency of LaGH13_31 on dextran and the dextran/panose (trisaccharide) efficiency ratio were the highest reported for this class of enzymes, suggesting higher affinity at distal substrate binding sites. The crystal structure of LaGH13_31 was determined to a resolution of 2.05 Å and revealed additional substrate contacts at the +2 subsite in LaGH13_31 compared to the GH13_31 from Streptococcus mutans (SmGH13_31), providing a possible structural rationale to the relatively high affinity for dextran. A comprehensive phylogenetic and activity motif analysis mapped IMO utilization enzymes from gut microbiota to rationalize preferential utilization of IMO by gut residents. PMID:22685275

  1. Enzymology and structure of the GH13_31 glucan 1,6-α-glucosidase that confers isomaltooligosaccharide utilization in the probiotic Lactobacillus acidophilus NCFM.

    PubMed

    Møller, Marie S; Fredslund, Folmer; Majumder, Avishek; Nakai, Hiroyuki; Poulsen, Jens-Christian N; Lo Leggio, Leila; Svensson, Birte; Abou Hachem, Maher

    2012-08-01

    Isomaltooligosaccharides (IMO) have been suggested as promising prebiotics that stimulate the growth of probiotic bacteria. Genomes of probiotic lactobacilli from the acidophilus group, as represented by Lactobacillus acidophilus NCFM, encode α-1,6 glucosidases of the family GH13_31 (glycoside hydrolase family 13 subfamily 31) that confer degradation of IMO. These genes reside frequently within maltooligosaccharide utilization operons, which include an ATP-binding cassette transporter and α-glucan active enzymes, e.g., maltogenic amylases and maltose phosphorylases, and they also occur separated from any carbohydrate transport or catabolism genes on the genomes of some acidophilus complex members, as in L. acidophilus NCFM. Besides the isolated locus encoding a GH13_31 enzyme, the ABC transporter and another GH13 in the maltooligosaccharide operon were induced in response to IMO or maltotetraose, as determined by reverse transcription-PCR (RT-PCR) transcriptional analysis, suggesting coregulation of α-1,6- and α-1,4-glucooligosaccharide utilization loci in L. acidophilus NCFM. The L. acidophilus NCFM GH13_31 (LaGH13_31) was produced recombinantly and shown to be a glucan 1,6-α-glucosidase active on IMO and dextran and product-inhibited by glucose. The catalytic efficiency of LaGH13_31 on dextran and the dextran/panose (trisaccharide) efficiency ratio were the highest reported for this class of enzymes, suggesting higher affinity at distal substrate binding sites. The crystal structure of LaGH13_31 was determined to a resolution of 2.05 Å and revealed additional substrate contacts at the +2 subsite in LaGH13_31 compared to the GH13_31 from Streptococcus mutans (SmGH13_31), providing a possible structural rationale to the relatively high affinity for dextran. A comprehensive phylogenetic and activity motif analysis mapped IMO utilization enzymes from gut microbiota to rationalize preferential utilization of IMO by gut residents. PMID:22685275

  2. Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Amerikheirabadi, Fatemeh

    Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

  3. Interferometer-based structured-illumination microscopy utilizing complementary phase relationship through constructive and destructive image detection by two cameras.

    PubMed

    Shao, L; Winoto, L; Agard, D A; Gustafsson, M G L; Sedat, J W

    2012-06-01

    In an interferometer-based fluorescence microscope, a beam splitter is often used to combine two emission wavefronts interferometrically. There are two perpendicular paths along which the interference fringes can propagate and normally only one is used for imaging. However, the other path also contains useful information. Here we introduced a second camera to our interferometer-based three-dimensional structured-illumination microscope (I(5)S) to capture the fringes along the normally unused path, which are out of phase by π relative to the fringes along the other path. Based on this complementary phase relationship and the well-defined phase interrelationships among the I(5)S data components, we can deduce and then computationally eliminate the path length errors within the interferometer loop using the simultaneously recorded fringes along the two imaging paths. This self-correction capability can greatly relax the requirement for eliminating the path length differences before and maintaining that status during each imaging session, which are practically challenging tasks. Experimental data is shown to support the theory. PMID:22472010

  4. Exploring positron characteristics utilizing two new positron-electron correlation schemes based on multiple electronic structure calculation methods

    NASA Astrophysics Data System (ADS)

    Zhang, Wen-Shuai; Gu, Bing-Chuan; Han, Xiao-Xi; Liu, Jian-Dang; Ye, Bang-Jiao

    2015-10-01

    We make a gradient correction to a new local density approximation form of positron-electron correlation. The positron lifetimes and affinities are then probed by using these two approximation forms based on three electronic-structure calculation methods, including the full-potential linearized augmented plane wave (FLAPW) plus local orbitals approach, the atomic superposition (ATSUP) approach, and the projector augmented wave (PAW) approach. The differences between calculated lifetimes using the FLAPW and ATSUP methods are clearly interpreted in the view of positron and electron transfers. We further find that a well-implemented PAW method can give near-perfect agreement on both the positron lifetimes and affinities with the FLAPW method, and the competitiveness of the ATSUP method against the FLAPW/PAW method is reduced within the best calculations. By comparing with the experimental data, the new introduced gradient corrected correlation form is proved to be competitive for positron lifetime and affinity calculations. Project supported by the National Natural Science Foundation of China (Grant Nos. 11175171 and 11105139).

  5. Evaluation of a simple carrier molecule to enhance drug penetration of dermal layers by utilizing multivariate methods, structure property correlations, and continuous system modeling.

    PubMed

    Bartzatt, Ronald

    2004-01-01

    Nicotinic acid is shown to be comparable to dihydropyridine in its capacity to facilitate penetration of an attached antibacterial drug through dermal layers. Antibacterial drugs examined with nicotinic acid or dihydropyridine carriers were beta-lactam antibiotics: methicillin, oxacillin, benzylpenicillin, penicillin F, penicillin dihydro F, propicillin, carbenicillin, penicillin K, penicillin X, and ampicillin. An oxymethyl (-O-CH2-) group is inserted as the linker between the antibiotic and the carrier group. Structure Property Correlations and multivariate methods such as regression analysis, cluster analysis, principal component analysis, discriminate analysis, self-organizing tree algorithm, and factor analysis clearly showed that nicotinic acid performs as an effective carrier drug and is comparable to dihydropyridine. The skin penetration constant Kp was calculated for all 10 antibiotics having either dihydropyridine or nicotinic acid as carrier, and was found to have a mean of 5.13E-05 cm/hour and 1.83E-05 cm/hour, respectively. The standard deviation for each group showed the numerical values overlap as did the 90% confidence interval for each group. A hierarchical tree organization of skin shows the overlapped dermal layers as they exist in normal skin and for the model utilized in this work. A Deming-Regression analysis also shows the nicotinic acid and dihydropyridine structures to have similar and correlated water solubility. Plotting Kp of the dihydropyridine structures as independent variable versus Kp of the nicotinic acid structures show good correlation (Pearson correlation r = 0.6606) and no significant departure from linearity. Connected box plots showed the majority of Kp values for each group of modified antibiotics to exist in a tight cluster. Polar graph of the Log Kow values showed the two groups of modified antibiotics to be correlated and numerically adjacent in trend. ChemSketch property calculations and modeling demonstrates the affects of structural oxygens, nitrogens, carbonyl groups, amide groups, and aromatic rings that are important in understanding the pervasiveness through dermal layers. Continuous model analysis by acslXtreme is utilized and demonstrates three models of the dispersion of drugs through dermal layers based on diffusivity constant (D), Log Kp from Log Kow and formula weight, and Kp as a function of time. PMID:15789972

  6. A cost-effective structure of a centralized-light-source WDM-PON utilizing inverse-duobinary-RZ downstream and DPSK upstream

    NASA Astrophysics Data System (ADS)

    Chen, Long-Quan; Qiao, Yao-Jun; Ji, Yue-Feng

    2013-05-01

    In this paper, we propose a new structure of a centralized-light-source wavelength division multiplexed passive optical network (WDM-PON) utilizing inverse-duobinary-return-to-zero (inverse-duobinary-RZ) downstream and DPSK upstream. It reuses downstream light for the upstream modulation, which retrenches lasers assembled at each optical network unit (ONU), and ultimately cuts down the cost of ONUs a great deal. Meanwhile, a 50-km-reach WDM-PON experiment with 10-Gb/s inverse-duobinary-RZ downstream and 6-Gb/s DPSK upstream is demonstrated here. It is revealed to be a novel cost-effective alternative for the next generation access network.

  7. Lighting Utilization.

    ERIC Educational Resources Information Center

    Crank, Ron

    This instructional unit is one of 10 developed by students on various energy-related areas that deals specifically with lighting utilization. Its objective is for the student to be able to outline the development of lighting use and conservation and identify major types and operating characteristics of lamps used in electric lighting. Some topics…

  8. BIOMASS UTILIZATION

    EPA Science Inventory

    The biomass utilization task consists of the evaluation of a biomass conversion technology including research and development initiatives. The project is expected to provide information on co-control of pollutants, as well as, to prove the feasibility of biomass conversion techn...

  9. Structure of a SusD Homologue, BT1043, Involved in Mucin O-Glycan Utilization in a Prominent Human Gut Symbiont

    SciTech Connect

    Koropatkin, Nicole; Martens, Eric C.; Gordon, Jeffrey I.; Smith, Thomas J.

    2009-05-21

    Mammalian distal gut bacteria have an expanded capacity to utilize glycans. In the absence of dietary sources, some species rely on host-derived mucosal glycans. The ability of Bacteroides thetaiotaomicron, a prominent human gut symbiont, to forage host glycans contributes to both its ability to persist within an individual host and its ability to be transmitted naturally to new hosts at birth. The molecular basis of host glycan recognition by this species is still unknown but likely occurs through an expanded suite of outermembrane glycan-binding proteins that are the primary interface between B. thetaiotaomicron and its environment. Presented here is the atomic structure of the B. thetaiotaomicron protein BT1043, an outer membrane lipoprotein involved in host glycan metabolism. Despite a lack of detectable amino acid sequence similarity, BT1043 is a structural homologue of the B. thetaiotaomicron starch-binding protein SusD. Both structures are dominated by tetratrico peptide repeats that may facilitate association with outer membrane {beta}-barrel transporters required for glycan uptake. The structure of BT1043 complexed with N-acetyllactosamine reveals that recognition is mediated via hydrogen bonding interactions with the reducing end of {beta}-N-acetylglucosamine, suggesting a role in binding glycans liberated from the mucin polypeptide. This is in contrast to CBM 32 family members that target the terminal nonreducing galactose residue of mucin glycans. The highly articulated glycan-binding pocket of BT1043 suggests that binding of ligands to BT1043 relies more upon interactions with the composite sugar residues than upon overall ligand conformation as previously observed for SusD. The diversity in amino acid sequence level likely reflects early divergence from a common ancestor, while the unique and conserved {alpha}-helical fold the SusD family suggests a similar function in glycan uptake.

  10. SPAR data handling utilities

    NASA Technical Reports Server (NTRS)

    Giles, G. L.; Haftka, R. T.

    1978-01-01

    The SPAR computer software system is a collection of processors that perform particular steps in the finite-element structural analysis procedure. The data generated by each processor are stored on a data base complex residing on an auxiliary storage device, and these data are then used by subsequent processors. The SPAR data handling utilities use routines to transfer data between the processors and the data base complex. A detailed description of the data base complex organization is presented. A discussion of how these SPAR data handling utilities are used in an application program to perform desired user functions is given with the steps necessary to convert an existing program to a SPAR processor by incorporating these utilities. Finally, a sample SPAR processor is included to illustrate the use of the data handling utilities.

  11. NASA technology utilization house

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Following systems and features, which are predicted to save approximately $20,000 in utility costs over twenty year period, are incorporated into single-level, contemporarily designed, energy efficient residential structure: solar heating and cooling; energy efficient appliances; water recycling; security, smoke, and tornado detectors; and flat conductor electrical wiring.

  12. Utility of reaction intermediate monitoring with photodissociation multi-stage (MSn) time-of-flight mass spectrometry for mechanistic and structural studies: Phosphopeptides

    NASA Astrophysics Data System (ADS)

    Moon, Jeong Hee; Shin, Young Sik; Kim, Myung Soo

    2009-12-01

    In tandem mass spectra of phosphopeptides, intact sequence ions are often missing or appear weakly. Instead, dephosphorylated sequence ions appear prominently. In this work, we used photodissociation (PD) multi-stage (MSn) time-of-flight mass spectrometry that can monitor reaction intermediates with lifetime as short as 100 ns to study the formation of dephosphorylated sequence ions such as yn-H3PO4. yn-H3PO4 was found to be formed mainly by H3PO4 loss from yn. For doubly phosphorylated peptides, yn seemed to lose H3PO4 stepwise and form yn-H3PO4 and yn-2H3PO4. Even when yn was absent in PD-MS2 spectrum, its m/z could be predicted from those of yn-H3PO4 and/or yn-2H3PO4. Complete sequence coverage was possible when the data from PD-MS2 and PD-MS3 were combined, demonstrating the utility of transient ion detection by PD-MS3 for structure analysis.

  13. Model and analysis of a delta-doping field-effect transistors utilizing an InGaP/GaAs camel-gate structure

    NASA Astrophysics Data System (ADS)

    Tsai, Jung-Hui

    2001-12-01

    In this paper, the performances of a new δ-doping field-effect transistor utilizing an InGaP/GaAs camel-gate structure by theoretical and experimental analysis will be reported. An analytical model related to drain saturation current, transconductance, potential barrier height, gate-to-source depletion capacitance, and unit current gain frequency is developed to explain the device performances. The employments of n +-GaAs/p +-InGaP/n-GaAs heterostructure gate and the δ-doping channel with heavy-doping level were used to improve transconductance linearity and enhance current drivability. For a 1×100 μm 2 device, the experimental results show that a drain saturation current of 1120 mA/mm, a maximum transconductance of 240 mS/mm, and a large Vgs swing larger than 3.5 V with the transconductance higher than 200 mS/mm are obtained. In addition, the measured unit current gain frequency ft is 22 GHz. These experimental results are consistent with theoretical analysis.

  14. Xylose utilization in recombinant Zymomonas

    DOEpatents

    Kahsay, Robel Y; Qi, Min; Tao, Luan; Viitanen, Paul V; Yang, Jianjun

    2013-01-07

    Zymomonas expressing xylose isomerase from A. missouriensis was found to have improved xylose utilization, growth, and ethanol production when grown in media containing xylose. Xylose isomerases related to that of A. missouriensis were identified structurally through molecular phylogenetic and Profile Hidden Markov Model analyses, providing xylose isomerases that may be used to improve xylose utilization.

  15. Development, cross-species/genera transferability of novel EST-SSR markers and their utility in revealing population structure and genetic diversity in sugarcane.

    PubMed

    Singh, Ram K; Jena, Satya N; Khan, Suhail; Yadav, Sonia; Banarjee, Nandita; Raghuvanshi, Saurabh; Bhardwaj, Vasudha; Dattamajumder, Sanjay K; Kapur, Raman; Solomon, Sushil; Swapna, M; Srivastava, Sangeeta; Tyagi, Akhilesh K

    2013-07-25

    Sugarcane (Saccharum spp. hybrid) with complex polyploid genome requires a large number of informative DNA markers for various applications in genetics and breeding. Despite the great advances in genomic technology, it is observed in several crop species, especially in sugarcane, the availability of molecular tools such as microsatellite markers are limited. Now-a-days EST-SSR markers are preferred to genomic SSR (gSSR) as they represent only the functional part of the genome, which can be easily associated with desired trait. The present study was taken up with a new set of 351 EST-SSRs developed from the 4085 non redundant EST sequences of two Indian sugarcane cultivars. Among these EST-SSRs, TNR containing motifs were predominant with a frequency of 51.6%. Thirty percent EST-SSRs showed homology with annotated protein. A high frequency of SSRs was found in the 5'UTR and in the ORF (about 27%) and a low frequency was observed in the 3'UTR (about 8%). Two hundred twenty-seven EST-SSRs were evaluated, in sugarcane, allied genera of sugarcane and cereals, and 134 of these have revealed polymorphism with a range of PIC value 0.12 to 0.99. The cross transferability rate ranged from 87.0% to 93.4% in Saccharum complex, 80.0% to 87.0% in allied genera, and 76.0% to 80.0% in cereals. Cloning and sequencing of EST-SSR size variant amplicons revealed that the variation in the number of repeat-units was the main source of EST-SSR fragment polymorphism. When 124 sugarcane accessions were analyzed for population structure using model-based approach, seven genetically distinct groups or admixtures thereof were observed in sugarcane. Results of principal coordinate analysis or UPGMA to evaluate genetic relationships delineated also the 124 accessions into seven groups. Thus, a high level of polymorphism adequate genetic diversity and population structure assayed with the EST-SSR markers not only suggested their utility in various applications in genetics and genomics in sugarcane but also enriched the microsatellite marker resources in sugarcane. PMID:23587912

  16. Preparation and properties of hybrid bilayer structures based on organic Alq3, ferromagnetic La2/3Sr1/3MnO3 and Fe3O4

    NASA Astrophysics Data System (ADS)

    Vengalis, B.; Šliužienė, K.; Černiukė, I.; Butkutė, R.; Lisauskas, V.; Maneikis, A.

    2008-09-01

    We report preparation and properties of hybrid bilayer structures composed of the organic semiconductor, 8-hydroxyquinoline aluminum (Alq3), p-type Si and two ferromagnetic oxides, namely, colossal magnetoresistance manganite, La2/3Sr1/3MnO3 (LSMO), and magnetite (Fe3O4). Thin Alq3 films were thermally evaporated in vacuum. The bottom LSMO films were grown in-situ at 750°C by dc magnetron sputtering on crystalline SrTiO3 while Fe3O4 films were magnetron sputtered at 400°C on glass. Current versus voltage in a case of vertical current flow has been investigated for the heterojunctions. The investigations revealed dominating role of thermoionic emission in a barrier of Schottky type for the Alq3/p-Si heterojunction while a mechanism based on carrier tunnelling through an interface and space charge limited current processes were considered to explain nonlinear electrical transport in the Alq3/LSMO, Alq3/ Fe3O4 heterojunctions. The Alq3/LSMO demonstrated magnetoresistance values up to 11 % (at T=240 K and B=1 T).

  17. COMPARISON OF SILICA IMMOBILIZED POLY-L-CYSTEINE AND 8-HYDROXYQUINOLINE FOR TRACE METAL CHELATION AND PRECONCENTRATION. (R826694C651)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  18. Studies on antitumor mechanism of two planar platinum(II) complexes with 8-hydroxyquinoline: synthesis, characterization, cytotoxicity, cell cycle and apoptosis.

    PubMed

    Qin, Qi-Pin; Chen, Zhen-Feng; Qin, Jiao-Lan; He, Xiao-Ju; Li, Yu-Lan; Liu, Yan-Cheng; Huang, Ke-Bin; Liang, Hong

    2015-03-01

    [Pt(Q)2] (1) and [Pt(MQ)2] (2) exhibited enhanced cytotoxicity against BEL-7404, Hep-G2, NCI-H460, T-24, A549 tumor cells but low cytotoxicity on normal HL-7702 cells. 1 and 2 could cause the cell cycle arrest in G2 and S phase, respectively. While pifithrin-α, a specific p53 inhibitor, induced cell cycle arrest in G1 phase. Although 1, 2 and pifithrin-α caused serious inhibition on p53, 1 and 2 significantly cause the loss of mitochondrial membrane potential and increase of the reactive oxygen species level, cytochrome c, apaf-1 and caspase-3/9 ratio in BEL-7404 cells. 1 and 2 may trigger the cell apoptosis through a mitochondrial dysfunction pathway whereas pifithrin-α does not. The interactions of 1 and 2 with DNA are most probably via an intercalation. PMID:25575314

  19. The novel mitochondrial iron chelator 5-((methylamino)methyl)-8-hydroxyquinoline protects against mitochondrial-induced oxidative damage and neuronal death.

    PubMed

    Mena, Natalia P; García-Beltrán, Olimpo; Lourido, Fernanda; Urrutia, Pamela J; Mena, Raúl; Castro-Castillo, Vicente; Cassels, Bruce K; Núñez, Marco T

    2015-08-01

    Abundant evidence indicates that iron accumulation, oxidative damage and mitochondrial dysfunction are common features of Huntington's disease, Parkinson's disease, Friedreich's ataxia and a group of disorders known as Neurodegeneration with Brain Iron Accumulation. In this study, we evaluated the effectiveness of two novel 8-OH-quinoline-based iron chelators, Q1 and Q4, to decrease mitochondrial iron accumulation and oxidative damage in cellular and animal models of PD. We found that at sub-micromolar concentrations, Q1 selectively decreased the mitochondrial iron pool and was extremely effective in protecting against rotenone-induced oxidative damage and death. Q4, in turn, preferentially chelated the cytoplasmic iron pool and presented a decreased capacity to protect against rotenone-induced oxidative damage and death. Oral administration of Q1 to mice protected substantia nigra pars compacta neurons against oxidative damage and MPTP-induced death. Taken together, our results support the concept that oral administration of Q1 is a promising therapeutic strategy for the treatment of NBIA. PMID:26051278

  20. Resource recovery utility

    SciTech Connect

    Jones, R.L.

    1987-02-17

    This patent describes a resource recovery utility comprising: (i) a landfill; (ii) a continuous wall surrounding the perimeter of the landfill; (iii) a containment structure extending completely over the landfill and affixed to the continuous wall; (iv) means for introducing refuse into the landfill; (v) means for compacting the refuse; (vi) means for removing and recovering methane generated by anaerobic bacterial digestion of organic materials contained in the refuse; and (vii) means for removing at least a portion of the compacted refuse from the landfill.

  1. Structural and functional investigation into acetyl-coenzyme A synthase and methyltransferase from human pathogen Clostridium difficile.

    PubMed

    Zhu, Xiaofei; Li, Tiejun; Gu, Xiang; Zhang, Sixue; Liu, Yi; Wang, Yu; Tan, Xiangshi

    2013-05-01

    Methyltransferase (MeTrCd) and acetyl-coenzyme A synthase (ACSCd) are two key enzymes in the acetyl-coenzyme A synthesis pathway of the human pathogen Clostridium difficile. The pathway is absent in humans and is essential for the survival of the pathogen. MeTrCd and ACSCd were cloned, expressed in E. coli, and characterized for the first time. Structural and functional investigations of the two enzymes were performed using homology structure modeling, fluorescence spectroscopy, and steady state/pre-steady state kinetics. The conformational change and methyl transfer activity of MeTrCd were shown to be pH dependent. The kinetic studies of MeTrCd at the optimal pH 5.1 yield the parameters kcat (2.63 s(-1)), Km (17.8 μM) and kcat/Km (0.15 μM(-1) s(-1)). The active site metal cluster (A-cluster) of ACSCd, [Fe4S4][NipNid], was characterized using metal analysis, structural modeling, and UV/Vis spectra of the characteristic features of [Fe4S4] cubane. Nip, as a labile metal, can be removed by treatment with chelators, resulting in the loss of ACS activity. Three bidentate chelators (1,10-phenanthroline, 8-hydroxyquinoline, and 2,2-dipyridyl) exhibited excellent inhibition effects on ACSCd methyl group transfer and acetyl-coenzyme A synthesis activity. These inhibitory effects were further examined using antibacterial activity assays against Clostridium difficile. These results provide a new strategy to find new potential antibiotics for the treatment of CDI. PMID:23599026

  2. The potential utility of predicted one bond carbon-proton coupling constants in the structure elucidation of small organic molecules by NMR spectroscopy.

    PubMed

    Venkata, Chandrasekhar; Forster, Mark J; Howe, Peter W A; Steinbeck, Christoph

    2014-01-01

    NMR spectroscopy is the most popular technique used for structure elucidation of small organic molecules in solution, but incorrect structures are regularly reported. One-bond proton-carbon J-couplings provide additional information about chemical structure because they are determined by different features of molecular structure than are proton and carbon chemical shifts. However, these couplings are not routinely used to validate proposed structures because few software tools exist to predict them. This study assesses the accuracy of Density Functional Theory for predicting them using 396 published experimental observations from a diverse range of small organic molecules. With the B3LYP functional and the TZVP basis set, Density Functional Theory calculations using the open-source software package NWChem can predict one-bond CH J-couplings with good accuracy for most classes of small organic molecule. The root-mean-square deviation after correction is 1.5 Hz for most sp3 CH pairs and 1.9 Hz for sp2 pairs; larger errors are observed for sp3 pairs with multiple electronegative substituents and for sp pairs. These results suggest that prediction of one-bond CH J-couplings by Density Functional Theory is sufficiently accurate for structure validation. This will be of particular use in strained ring systems and heterocycles which have characteristic couplings and which pose challenges for structure elucidation. PMID:25365289

  3. The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy

    PubMed Central

    Venkata, Chandrasekhar; Forster, Mark J.; Howe, Peter W. A.; Steinbeck, Christoph

    2014-01-01

    NMR spectroscopy is the most popular technique used for structure elucidation of small organic molecules in solution, but incorrect structures are regularly reported. One-bond proton-carbon J-couplings provide additional information about chemical structure because they are determined by different features of molecular structure than are proton and carbon chemical shifts. However, these couplings are not routinely used to validate proposed structures because few software tools exist to predict them. This study assesses the accuracy of Density Functional Theory for predicting them using 396 published experimental observations from a diverse range of small organic molecules. With the B3LYP functional and the TZVP basis set, Density Functional Theory calculations using the open-source software package NWChem can predict one-bond CH J-couplings with good accuracy for most classes of small organic molecule. The root-mean-square deviation after correction is 1.5 Hz for most sp3 CH pairs and 1.9 Hz for sp2 pairs; larger errors are observed for sp3 pairs with multiple electronegative substituents and for sp pairs. These results suggest that prediction of one-bond CH J-couplings by Density Functional Theory is sufficiently accurate for structure validation. This will be of particular use in strained ring systems and heterocycles which have characteristic couplings and which pose challenges for structure elucidation. PMID:25365289

  4. Phylogenetic utility, and variability in structure and content, of complete mitochondrial genomes among genetic lineages of the Hawaiian anchialine shrimp Halocaridina rubra Holthuis 1963 (Atyidae:Decapoda).

    PubMed

    Justice, Joshua L; Weese, David A; Santos, Scott Ross

    2016-07-01

    The Atyidae are caridean shrimp possessing hair-like setae on their claws and are important contributors to ecological services in tropical and temperate fresh and brackish water ecosystems. Complete mitochondrial genomes have only been reported from five of the 449 species in the family, thus limiting understanding of mitochondrial genome evolution and the phylogenetic utility of complete mitochondrial sequences in the Atyidae. Here, comparative analyses of complete mitochondrial genomes from eight genetic lineages of Halocaridina rubra, an atyid endemic to the anchialine ecosystem of the Hawaiian Archipelago, are presented. Although gene number, order, and orientation were syntenic among genomes, three regions were identified and further quantified where conservation was substantially lower: (1) high length and sequence variability in the tRNA-Lys and tRNA-Asp intergenic region; (2) a 317-bp insertion between the NAD6 and CytB genes confined to a single lineage and representing a partial duplication of CytB; and (3) the putative control region. Phylogenetic analyses utilizing complete mitochondrial sequences provided new insights into relationships among the H. rubra genetic lineages, with the topology of one clade correlating to the geologic sequence of the islands. However, deeper nodes in the phylogeny lacked bootstrap support. Overall, our results from H. rubra suggest intra-specific mitochondrial genomic diversity could be underestimated across the Metazoa since the vast majority of complete genomes are from just a single individual of a species. PMID:26061341

  5. Hualapai Tribal Utility Development Project

    SciTech Connect

    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 West Power Project construction of the power infrastructure at Grand Canyon West. Develop the maintenance and operations capacity necessary to support utility operations. Develop rates for customers on the Grand Canyon West “mini-grid” sufficient for the tribal utility to be self-sustaining. Establish an implementation strategy for tribal utility service at Grand Canyon West Objective 2 - Develop a strategy for tribal utility takeover of electric service on the Reservation. Perform a cost analysis of Reservation electrical service. Develop an implementation strategy for tribal takeover of Reservation electrical service. Examine options and costs associated with integration of the Tribe’s wind resources.

  6. The utility of atlas-assisted segmentation in the male pelvis is dependent on the interobserver agreement of the structures segmented

    PubMed Central

    Perry, C; Sinstead, C; Mills, J; Saunders, D

    2014-01-01

    Objective: To investigate the relationship between the ability of atlas-based autosegmentation to reduce outlining time in the male pelvis (body, bladder, rectum, femoral heads, prostate and seminal vesicles) and the interobserver agreement in the delineation of these structures. To examine any increase of the interobserver agreement with the use of an autosegmentation tool. Methods: We created atlases in the ABAS™ system v. 2.0 (Elekta, Crawley, UK) and recorded the time to delineate the above structures on eight patients with and without its aid. We also measured the interobserver agreement in the structure definitions using several metrics [Dice's similarity coefficient (DSC), mean distance to conformity, percentage volume difference] with and without the aid of ABAS. Results: There is a high degree of correlation between the time saving with the use of ABAS and the degree of interobserver agreement (r = 0.90 for DSC). This indicates that for structures where the interobserver agreement is low (DSC < 0.65), the ABAS does not reduce outlining time. We found that the interobserver agreement is increased with ABAS only for the prostate. Conclusion: Outlining time saved in the male pelvis is highly correlated with the interobserver agreement of the structures. Only for the prostate does the use of ABAS significantly reduce the amount of interobserver variation in contouring. Advances in knowledge: The use of autosegmentation software increases the outlining time for structures where the interobserver agreement is low. Any increase in the interobserver agreement in contouring with the aid of such software may be limited to those structures where there is currently mid-range agreement between observers. PMID:25168198

  7. Materials and structure synergistic with in-space materials utilization. [as means of reducing costs of space missions, colonization, and settlements

    NASA Technical Reports Server (NTRS)

    Ramohalli, Kumar; Shadman, Farhang; Sridhar, K. R.

    1992-01-01

    The significant advances made recently toward actual hardware realizations of various concepts for the application of in-space materials utilization (ISMU) are demonstrated. The overall plan for taking innovative concepts through technical feasibility, small-scale tests, scale-up, computer modeling, and larger-scale execution is outlined. Two specific fields of endeavor are surveyed: one has direct applications to construction on the moon, while the other has more basic implications, in addition to the practical aspects of lunar colonies. Several fundamental scientific advances made in the characterization of the physical and chemical processes that need to be elucidated for any intelligent application of the ISMU concepts in future space missions are described. A rigorous quantitative technique for the unambiguous evaluation of various components and component technology that form any space (or terrestrial mission) is also described.

  8. Model-based Utility Functions

    NASA Astrophysics Data System (ADS)

    Hibbard, Bill

    2012-05-01

    Orseau and Ring, as well as Dewey, have recently described problems, including self-delusion, with the behavior of agents using various definitions of utility functions. An agent's utility function is defined in terms of the agent's history of interactions with its environment. This paper argues, via two examples, that the behavior problems can be avoided by formulating the utility function in two steps: 1) inferring a model of the environment from interactions, and 2) computing utility as a function of the environment model. Basing a utility function on a model that the agent must learn implies that the utility function must initially be expressed in terms of specifications to be matched to structures in the learned model. These specifications constitute prior assumptions about the environment so this approach will not work with arbitrary environments. But the approach should work for agents designed by humans to act in the physical world. The paper also addresses the issue of self-modifying agents and shows that if provided with the possibility to modify their utility functions agents will not choose to do so, under some usual assumptions.

  9. Time Functions as Utilities

    NASA Astrophysics Data System (ADS)

    Minguzzi, E.

    2010-09-01

    Every time function on spacetime gives a (continuous) total preordering of the spacetime events which respects the notion of causal precedence. The problem of the existence of a (semi-)time function on spacetime and the problem of recovering the causal structure starting from the set of time functions are studied. It is pointed out that these problems have an analog in the field of microeconomics known as utility theory. In a chronological spacetime the semi-time functions correspond to the utilities for the chronological relation, while in a K-causal (stably causal) spacetime the time functions correspond to the utilities for the K + relation (Seifert’s relation). By exploiting this analogy, we are able to import some mathematical results, most notably Peleg’s and Levin’s theorems, to the spacetime framework. As a consequence, we prove that a K-causal (i.e. stably causal) spacetime admits a time function and that the time or temporal functions can be used to recover the K + (or Seifert) relation which indeed turns out to be the intersection of the time or temporal orderings. This result tells us in which circumstances it is possible to recover the chronological or causal relation starting from the set of time or temporal functions allowed by the spacetime. Moreover, it is proved that a chronological spacetime in which the closure of the causal relation is transitive (for instance a reflective spacetime) admits a semi-time function. Along the way a new proof avoiding smoothing techniques is given that the existence of a time function implies stable causality, and a new short proof of the equivalence between K-causality and stable causality is given which takes advantage of Levin’s theorem and smoothing techniques.

  10. Exploring the Structural Relationships between High School Students' Scientific Epistemological Views and Their Utilization of Information Commitments toward Online Science Information

    ERIC Educational Resources Information Center

    Lin, Chia-Ching; Tsai, Chin-Chung

    2008-01-01

    The main purpose of this study was to examine the structural relationships between scientific epistemological views (SEVs) and information commitments (ICs) of high school students in Taiwan. Data were collected from 486 Taiwanese high school students via two self-reporting instruments: one was the SEV questionnaire, including five scales for…

  11. Investigating Shifts in Diverse Family Structures in Newbery Award and Honor Books Utilizing U.S. Census Data, 1930-2010

    ERIC Educational Resources Information Center

    Despain, Shannon M.; Tunnell, Michael O.; Wilcox, Brad; Morrison, Timothy G.

    2015-01-01

    Newbery Award and Honor books are a representation of children's literature, but family structures portrayed in them have not previously been studied. This prescriptive content analysis considered 87 contemporary realistic fiction Newbery winners and runners-up since the 1930s that portray families in English-speaking, Western settings. The family

  12. Investigating Shifts in Diverse Family Structures in Newbery Award and Honor Books Utilizing U.S. Census Data, 1930-2010

    ERIC Educational Resources Information Center

    Despain, Shannon M.; Tunnell, Michael O.; Wilcox, Brad; Morrison, Timothy G.

    2015-01-01

    Newbery Award and Honor books are a representation of children's literature, but family structures portrayed in them have not previously been studied. This prescriptive content analysis considered 87 contemporary realistic fiction Newbery winners and runners-up since the 1930s that portray families in English-speaking, Western settings. The family…

  13. Internal transcribed spacer (ITS) evolution in populations of the hyperparasitic European mistletoe pathogen fungus, Sphaeropsis visci (Botryosphaeriaceae): The utility of ITS2 secondary structures.

    PubMed

    Poczai, Péter; Varga, Ildikó; Hyvönen, Jaakko

    2015-03-01

    We investigated patterns of nucleotide polymorphism in the internal transcribed spacer (ITS) region for Sphaeropsis visci, a hyperparasitic fungus that causes the leaf spot disease of the hemiparasite European mistletoe (Viscum album). Samples of S. visci were obtained from Hungary covering all major infected forest areas. For obtaining PCR products we used a fast and efficient direct PCR approach based on a high fidelity DNA polymerase. A total of 140 ITS sequences were subjected to an array of complementary sequence analyses, which included analyses of secondary structure stability, nucleotide polymorphism patterns, GC content, and presence of conserved motifs. Analysed sequences exhibited features of functional rRNAs. Overall, polymorphism was observed within less conserved motifs, such as loops and bulges, or, alternatively, as non-canonical G-U pairs within conserved regions of double stranded helices. The secondary structure of ITS2 provides new opportunities for obtaining further valuable information, which could be used in phylogenetic analyses, or at population level as demonstrated in our study. This is due to additional information provided by secondary structures and their models. The combined score matrix was used with the methods implemented in the programme 4SALE. Besides the pseudoprotein coding method of 4SALE, the molecular morphometric character coding also has potential for gaining further information for phylogenetic analyses based on the geometric features of the sub-structural elements of the ITS2 RNA transcript. PMID:25536165

  14. Proceedings of the ninth cellulose conference. I. Symposia on biosynthesis of cellulose, structure and physics of cellulose, and chemistry and utilization of lignin

    SciTech Connect

    Sarko, A.

    1983-01-01

    Volume I of this conference contains 37 papers covering research programs in the biosynthesis of cellulose and its precursors and the structure and chemical composition of cellulose and lignin. All 37 papers have been abstracted separately. 1028 references, 344 figures, 63 tables.

  15. Controlling Your Utility Rates.

    ERIC Educational Resources Information Center

    Lucht, Ray; Dembowski, Frederick L.

    1985-01-01

    A cost-effective alternative to high utility bills for middle-sized and smaller utility users is the service of utility rate consultants. The consultants analyze utility invoices for the previous 12 months to locate available refunds or credits. (MLF)

  16. Electric utility companies and geothermal power

    NASA Technical Reports Server (NTRS)

    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.

  17. Isobaric-Isothermal Molecular Dynamics Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

    SciTech Connect

    Schmidt, J; VandeVondele, J; Kuo, I W; Sebastiani, D; Siepmann, J I; Hutter, J; Mundy, C J

    2009-03-06

    We present herein a comprehensive density functional theory study toward assessing the accuracy of two popular gradient-corrected exchange correlation functionals on the structure and density of liquid water at near ambient conditions in the isobaric-isothermal ensemble. Our results indicate that both PBE and BLYP functionals under predict the density and over structure the liquid. Adding the dispersion correction due to Grimme(1, 2) improves the predicted densities for both BLYP and PBE in a significant manner. Moreover, the addition of the dispersion correction for BLYP yields an oxygen-oxygen radial distribution function in excellent agreement with experiment. Thus, we conclude that one can obtain a very satisfactory model for water using BLYP and a correction for dispersion.

  18. I-III-VI.sub.2 based solar cell utilizing the structure CuInGaSe.sub.2 CdZnS/ZnO

    DOEpatents

    Chen, Wen S.; Stewart, John M.

    1992-01-07

    A thin film I-III-VI.sub.2 based solar cell having a first layer of copper indium gallium selenide, a second layer of cadmium zinc sulfide, a double layer of zinc oxide, and a metallization structure comprised of a layer of nickel covered by a layer of aluminum. An optional antireflective coating may be placed on said metallization structure. The cadmium zinc sulfide layer is deposited by means of an aqueous solution growth deposition process and may actually consist of two layers: a low zinc content layer and a high zinc content layer. Photovoltaic efficiencies of 12.5% at Air Mass 1.5 illumination conditions and 10.4% under AMO illumination can be achieved.

  19. Utilization of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for structural studies related to biology and disease

    NASA Astrophysics Data System (ADS)

    Costello, Catherine E.; Helin, Jari; Ngoka, Lambert C. M.

    1996-04-01

    Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS), because of its high sensitivity and relatively straightforward requirements for sample preparation, is contributing to the solution of structural problems in biology and to the development of therapeutic approaches through increased understanding of pharmacology and enhanced capabilities for quality control of pharmaceuticals. We are using a reflectron TOF- MS for the determination of molecular weights of individual compounds and the components of mixtures that are naturally occurring or are generated through enzymic digests, and employing the post-source decay mode to elucidate structural details. To maximize the sensitivity and information content of the spectra, varied matrices, derivative, and stepwise degradation procedures are being explored. Present studies include investigations of oligosaccharides, neutral glycolipids, gangliosides, glycoproteins, neuropeptides and proteins. Rules for fragmentation are being developed with model compounds and used for the structural elucidation of unknowns. When adequate sample amounts are available, the results are compared with low- and high-energy collision-induced decomposition spectra obtained with tandem MS in order to provide a data base for the correlation of spectral features and guidance in selection of approaches for scarce biological samples. Current projects include biophysical studies of glycoplipids, glycoproteins and oligosaccharides and investigations of the substance P receptor, transthyretin genetic variants and cisplatin-DNA interactions.

  20. Secondary Structure Analyses of the Nuclear rRNA Internal Transcribed Spacers and Assessment of Its Phylogenetic Utility across the Brassicaceae (Mustards)

    PubMed Central

    Bird, Kevin A.; Mayfield, Dustin R.; Conant, Gavin; Mummenhoff, Klaus; Koch, Marcus A.; Pires, J. Chris

    2014-01-01

    The internal transcribed spacers of the nuclear ribosomal RNA gene cluster, termed ITS1 and ITS2, are the most frequently used nuclear markers for phylogenetic analyses across many eukaryotic groups including most plant families. The reasons for the popularity of these markers include: 1.) Ease of amplification due to high copy number of the gene clusters, 2.) Available cost-effective methods and highly conserved primers, 3.) Rapidly evolving markers (i.e. variable between closely related species), and 4.) The assumption (and/or treatment) that these sequences are non-functional, neutrally evolving phylogenetic markers. Here, our analyses of ITS1 and ITS2 for 50 species suggest that both sequences are instead under selective constraints to preserve proper secondary structure, likely to maintain complete self-splicing functions, and thus are not neutrally-evolving phylogenetic markers. Our results indicate the majority of sequence sites are co-evolving with other positions to form proper secondary structure, which has implications for phylogenetic inference. We also found that the lowest energy state and total number of possible alternate secondary structures are highly significantly different between ITS regions and random sequences with an identical overall length and Guanine-Cytosine (GC) content. Lastly, we review recent evidence highlighting some additional problematic issues with using these regions as the sole markers for phylogenetic studies, and thus strongly recommend additional markers and cost-effective approaches for future studies to estimate phylogenetic relationships. PMID:24984034

  1. Development and utilization of digital image correlation techniques for the study of structural isomerism effects on strain development in epoxy network glasses

    NASA Astrophysics Data System (ADS)

    Heinz, Stephen Robert

    The specific aim of this dissertation is to present the findings regarding the effects of molecular structure on macroscopic mechanical performance and strain development in epoxy networks. Network molecular structure was altered through monomer isomerism and crosslink density/molecular weight between crosslinks. The use of structural isomerism provided a pathway for altering mechanical performance while maintaining identical chemical composition within the network. Isomerism was investigated primarily by the curing of diglycidyl ether of bisphenol A (DGEBA) using either the para- or meta-substituted derivatives of diaminodiphenyl sulfone (DDS). Additional insights into isomerism were gained through the investigation of networks composed of either para- or meta-triglycidyl aminophenol (TGAP) cured with 3,3'- or 4,4'-DDS. Crosslink density of the network was varied through two different methods: (a) increasing the equivalent weight of the linear DGEBA epoxy resin and (b) increasing the functionality of the epoxy resin through the use of TGAP. The effects of molecular structure on mechanical properties and strain development were monitored using a relatively new strain measurement technique known as digital image correlation (DIC). Strain measurement via DIC was particularly useful for the development of strain recovery procedures, which provided key insights to the deformation of epoxy network glasses of varying molecular structure by providing full field analysis of the epoxy specimens. Specific findings of this research revealed that network isomerism plays an important role in the deformation of epoxy network glasses. Networks containing meta-substituted monomers possessed higher modulus and yield stress values and lower yield strains. On the contrary, networks with para-substituted monomers displayed lower modulus and yield stress values, but increased ability to store energy through anelastic strain mechanisms, thereby delaying the onset of yielding. The increased energy storage of these networks was related to sub-Tg molecular motions and the ability for para-substituted phenyl rings to rotate along an axis of symmetry, thus creating more cooperative motion within the network. Insights into post-yield deformation of epoxy glasses were also gained where networks with meta-substitution were able to dissipate more stress post-yield through large segmental rearrangements.

  2. Aberrant 5′ splice sites in human disease genes: mutation pattern, nucleotide structure and comparison of computational tools that predict their utilization

    PubMed Central

    Buratti, Emanuele; Chivers, Martin; Královičová, Jana; Romano, Maurizio; Baralle, Marco; Krainer, Adrian R.; Vořechovský, Igor

    2007-01-01

    Despite a growing number of splicing mutations found in hereditary diseases, utilization of aberrant splice sites and their effects on gene expression remain challenging to predict. We compiled sequences of 346 aberrant 5′splice sites (5′ss) that were activated by mutations in 166 human disease genes. Mutations within the 5′ss consensus accounted for 254 cryptic 5′ss and mutations elsewhere activated 92 de novo 5′ss. Point mutations leading to cryptic 5′ss activation were most common in the first intron nucleotide, followed by the fifth nucleotide. Substitutions at position +5 were exclusively G>A transitions, which was largely attributable to high mutability rates of C/G>T/A. However, the frequency of point mutations at position +5 was significantly higher than that observed in the Human Gene Mutation Database, suggesting that alterations of this position are particularly prone to aberrant splicing, possibly due to a requirement for sequential interactions with U1 and U6 snRNAs. Cryptic 5′ss were best predicted by computational algorithms that accommodate nucleotide dependencies and not by weight-matrix models. Discrimination of intronic 5′ss from their authentic counterparts was less effective than for exonic sites, as the former were intrinsically stronger than the latter. Computational prediction of exonic de novo 5′ss was poor, suggesting that their activation critically depends on exonic splicing enhancers or silencers. The authentic counterparts of aberrant 5′ss were significantly weaker than the average human 5′ss. The development of an online database of aberrant 5′ss will be useful for studying basic mechanisms of splice-site selection, identifying splicing mutations and optimizing splice-site prediction algorithms. PMID:17576681

  3. Deregulation allows new opportunities for utilities

    SciTech Connect

    Hansen, T.

    1996-10-01

    The changes electric utilities face today are both scary and exciting. In the past several years utilities have faced uncertainties that have caused major upheaval in their structures and business processes. There has been an increase in the number of mergers and acquisitions as utilities position themselves for competition. many utility employees have faced layoffs, resulting form reengineering and downsizing. Similar events and uncertainties were faced by the airline and telecommunications industries during their transformations form monopolistic to competitive environments. Even though these events have been difficult and unpleasant, there is a bright side. Today`s electric utilities have the opportunities to cash in on some innovative new ideas and technologies.

  4. Protein-protein interactions in the β-oxidation part of the phenylacetate utilization pathway: crystal structure of the PaaF-PaaG hydratase-isomerase complex.

    PubMed

    Grishin, Andrey M; Ajamian, Eunice; Zhang, Linhua; Rouiller, Isabelle; Bostina, Mihnea; Cygler, Miroslaw

    2012-11-01

    Microbial anaerobic and so-called hybrid pathways for degradation of aromatic compounds contain β-oxidation-like steps. These reactions convert the product of the opening of the aromatic ring to common metabolites. The hybrid phenylacetate degradation pathway is encoded in Escherichia coli by the paa operon containing genes for 10 enzymes. Previously, we have analyzed protein-protein interactions among the enzymes catalyzing the initial oxidation steps in the paa pathway (Grishin, A. M., Ajamian, E., Tao, L., Zhang, L., Menard, R., and Cygler, M. (2011) J. Biol. Chem. 286, 10735-10743). Here we report characterization of interactions between the remaining enzymes of this pathway and show another stable complex, PaaFG, an enoyl-CoA hydratase and enoyl-Coa isomerase, both belonging to the crotonase superfamily. These steps are biochemically similar to the well studied fatty acid β-oxidation, which can be catalyzed by individual monofunctional enzymes, multifunctional enzymes comprising several domains, or enzymatic complexes such as the bacterial fatty acid β-oxidation complex. We have determined the structure of the PaaFG complex and determined that although individually PaaF and PaaG are similar to enzymes from the fatty acid β-oxidation pathway, the structure of the complex is dissimilar from bacterial fatty acid β-oxidation complexes. The PaaFG complex has a four-layered structure composed of homotrimeric discs of PaaF and PaaG. The active sites of PaaF and PaaG are adapted to accept the intermediary components of the Paa pathway, different from those of the fatty acid β-oxidation. The association of PaaF and PaaG into a stable complex might serve to speed up the steps of the pathway following the conversion of phenylacetyl-CoA to a toxic and unstable epoxide-CoA by PaaABCE monooxygenase. PMID:22961985

  5. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

    SciTech Connect

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; Yang, Xiao -Qing

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improve the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.

  6. Structural and Functional Characterization of an Orphan ATP-Binding Cassette ATPase Involved in Manganese Utilization and Tolerance in Leptospira spp.

    PubMed Central

    Saul, Frederick; Bellalou, Jacques; Miras, Isabelle; Weber, Patrick; Bondet, Vincent; Murray, Gerald L.; Adler, Ben; Ristow, Paula; Louvel, Hélène; Haouz, Ahmed

    2013-01-01

    Pathogenic Leptospira species are the etiological agents of the widespread zoonotic disease leptospirosis. Most organisms, including Leptospira, require divalent cations for proper growth, but because of their high reactivity, these metals are toxic at high concentrations. Therefore, bacteria have acquired strategies to maintain metal homeostasis, such as metal import and efflux. By screening Leptospira biflexa transposon mutants for their ability to use Mn2+, we have identified a gene encoding a putative orphan ATP-binding cassette (ABC) ATPase of unknown function. Inactivation of this gene in both L. biflexa and L. interrogans strains led to mutants unable to grow in medium in which iron was replaced by Mn2+, suggesting an involvement of this ABC ATPase in divalent cation uptake. A mutation in this ATPase-coding gene increased susceptibility to Mn2+ toxicity. Recombinant ABC ATPase of the pathogen L. interrogans exhibited Mg2+-dependent ATPase activity involving a P-loop motif. The structure of this ATPase was solved from a crystal containing two monomers in the asymmetric unit. Each monomer adopted a canonical two-subdomain organization of the ABC ATPase fold with an α/β subdomain containing the Walker motifs and an α subdomain containing the ABC signature motif (LSSGE). The two monomers were arranged in a head-to-tail orientation, forming a V-shaped particle with all the conserved ABC motifs at the dimer interface, similar to functional ABC ATPases. These results provide the first structural and functional characterization of a leptospiral ABC ATPase. PMID:24123817

  7. ERTS-1 imagery use in reconnaissance prospecting: Evaluation of commercial utility of ERTS-1 imagery in structural reconnaissance for minerals and petroleum

    NASA Technical Reports Server (NTRS)

    Saunders, D. F. (Principal Investigator); Thomas, G. L.; Kinsman, F. E.

    1973-01-01

    The author has identified the following significant results. Five areas in North America (North Slope-Alaska, Superior Province-Canada, Williston Basin-Montana, Colorado, and New Mexico-West Texas) are being studied for discernibility of geological evidence on ERTS-1 imagery. Evidence mapped is compared with known mineral/hydrocarbon accumulations to determine the value of the imagery in commercial exploration programs. Evaluation has proceeded in the New Mexico-Texas area, and to date, results have been better than expected. Clearly discernible structural lineaments in this area are evident on the photographs. Comparison of this evidence with known major mining localities in New Mexico indicates a clear pattern of coincidence between the lineaments and mining localities. In West Texas, lineament and geomorphological evidence obtainable from the photographs define the petroleum-productive Central Basin Platform. Based on evaluation of results in the New Mexico-West Texas area and on cursory results in the other four areas of North America, it is concluded that ERTS-1 imagery will be extremely valuable in defining the regional and local structure in any commercial exploration program.

  8. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

    DOE PAGESBeta

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; et al

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improvemore » the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.« less

  9. ERTS-1 imagery use in reconnaissance prospecting: Evaluation of commercial utility of ERTS-1 imagery in structural reconnaissance for minerals and petroleum

    NASA Technical Reports Server (NTRS)

    Saunders, D. F.; Thomas, G. E. (Principal Investigator); Kinsman, F. E.; Beatty, D. F.

    1973-01-01

    The author has identified the following significant results. This study was performed to investigate applications of ERTS-1 imagery in commercial reconnaissance for mineral and hydrocarbon resources. ERTS-1 imagery collected over five areas in North America (Montana; Colorado; New Mexico-West Texas; Superior Province, Canada; and North Slope, Alaska) has been analyzed for data content including linears, lineaments, and curvilinear anomalies. Locations of these features were mapped and compared with known locations of mineral and hydrocarbon accumulations. Results were analyzed in the context of a simple-shear, block-coupling model. Data analyses have resulted in detection of new lineaments, some of which may be continental in extent, detection of many curvilinear patterns not generally seen on aerial photos, strong evidence of continental regmatic fracture patterns, and realization that geological features can be explained in terms of a simple-shear, block-coupling model. The conculsions are that ERTS-1 imagery is of great value in photogeologic/geomorphic interpretations of regional features, and the simple-shear, block-coupling model provides a means of relating data from ERTS imagery to structures that have controlled emplacement of ore deposits and hydrocarbon accumulations, thus providing a basis for a new approach for reconnaissance for mineral, uranium, gas, and oil deposits and structures.

  10. Utilities Expense Report.

    ERIC Educational Resources Information Center

    Moore, Deborah P.

    2001-01-01

    Examines how deregulation has affected school district utility costs. Offers ideas that can help school districts save money and energy. Provides several examples of state-wide initiatives intended to help school districts control utility costs. (GR)

  11. The structure of state utility commissions and protection of the captive ratepayer: Is there a connection? Occasional paper {number_sign}23

    SciTech Connect

    Zearfoss, N.N.

    1998-06-01

    While there is a considerable body of literature on regulatory decision making, the dominant theories have emphasized the influence of external factors on commissioners, which largely result in capture. Underlying these theories is the assumption that resources translate into influence. The theory proposed in this research is that while resources are necessary in order to influence commission decisions, they are not sufficient. Instead, their effects are mediated by two conditions: one, the structural characteristics of each state commission, which enable it to acquire and analyze information and two, the attributes of the type of consumer safeguards, e.g. a rate freeze or quality-of-service standards with attached financial penalties, which commissions could have adopted. The guiding research hypothesis is that the greater the ability of the commission to acquire and analyze information, the more likely it is to enact more stringent measures to protect the captive ratepayer. The major implications of this research are two. (1) This research suggests that commissions react not just to political pressure and economic incentives, but also to information. Indeed, this research asserts that information is a significant determinant in the decision making process. (2) Where the general public has neither the knowledge nor the understanding to take a position with regard to an issue, a regulatory commission with greater resources and more professional personnel is more likely to be its champion than is a commission with fewer resources and less professional personnel.

  12. Structuralism.

    ERIC Educational Resources Information Center

    Piaget, Jean

    Provided is an overview of the analytical method known as structuralism. The first chapter discusses the three key components of the concept of a structure: the view of a system as a whole instead of so many parts; the study of the transformations in the system; and the fact that these transformations never lead beyond the system but always…

  13. Structuralism.

    ERIC Educational Resources Information Center

    Piaget, Jean

    Provided is an overview of the analytical method known as structuralism. The first chapter discusses the three key components of the concept of a structure: the view of a system as a whole instead of so many parts; the study of the transformations in the system; and the fact that these transformations never lead beyond the system but always

  14. Aspects of nicotine utilization.

    PubMed

    Warburton, David M

    2011-12-01

    This commentary reviews the effects of nicotine on mood and cognition in support of the drug utilization concept of Müller & Schumann (M&S). Specifically, it amplifies the concept with the nicotine utilization hypothesis (NUH), which opposes the nicotine withdrawal hypothesis (NWH). Evidence against NWH comes from changes in mood after abstinence and the performance effects of nicotine supporting drug utilization. PMID:22074980

  15. Cogeneration and utility diversification

    SciTech Connect

    Duggan, M.M.

    1985-08-01

    Niagara Mohawk saw cogeneration and utility diversification as an opportunity to break away from the traditional model of a public utility and avoid the fate of the railroads. The author reviews how HYDRA-CO Enterprises evaluated the risks and opportunities of diversification and the steps it took to diversify, which included a joint venture cogeneration project. The company sees a future with ever expanding opportunities for utility subsidiaries for those with courage and imagination.

  16. Utility Solar Generation Valuation Methods

    SciTech Connect

    Hansen, Thomas N.; Dion, Phillip J.

    2009-06-30

    Tucson Electric Power (TEP) developed, tested and verified the results of a new and appropriate method for accurately evaluating the capacity credit of time variant solar generating sources and reviewed new methods to appropriately and fairly evaluate the value of solar generation to electric utilities. The project also reviewed general integrated approaches for adequately compensating owners of solar generation for their benefits to utilities. However, given the limited funding support and time duration of this project combined with the significant differences between utilities regarding rate structures, solar resource availability and coincidence of solar generation with peak load periods, it is well beyond the scope of this project to develop specific rate, rebate, and interconnection approaches to capture utility benefits for all possible utilities. The project developed computer software based evaluation method models to compare solar generation production data measured in very short term time increments called Sample Intervals over a typical utility Dispatch Cycle during an Evaluation Period against utility system load data. Ten second resolution generation production data from the SGSSS and actual one minute resolution TEP system load data for 2006 and 2007, along with data from the Pennington Street Garage 60 kW DC capacity solar unit installed in downtown Tucson will be applied to the model for testing and verification of the evaluation method. Data was provided by other utilities, but critical time periods of data were missing making results derived from that data inaccurate. The algorithms are based on previous analysis and review of specific 2005 and 2006 SGSSS production data. The model was built, tested and verified by in house TEP personnel. For this phase of the project, TEP communicated with, shared solar production data with and collaborated on the development of solar generation valuation tools with other utilities, including Arizona Public Service, Salt River Project, Xcel and Nevada Power Company as well as the Arizona electric cooperatives. In the second phase of the project, three years of 10 second power output data of the SGSSS was used to evaluate the effectiveness of frequency domain analysis, normal statistical distribution analysis and finally maximum/minimum differential output analysis to test the applicability of these mathematic methods in accurately modeling the output variations produced by clouds passing over the SGSSS array.

  17. MISR IDL Utilities

    Atmospheric Science Data Center

    2013-03-20

    ... See  README document  for additional information. A tar file package is available for download which is opened on Unix systems with the tar utility or on Windows systems with a utility such as WinZip, or the files ...

  18. Teuchos Utility Package

    Energy Science and Technology Software Center (ESTSC)

    2004-03-01

    Teuchos is designed to provide portable, object-oriented tools for Trillnos developers and users. This includes templated wrappers to BLAS/LAPACK, a serial dense matrix class, a parameter list, XML parsing utilities, reference counted pointer (smart pointer) utilities, and more. These tools are designed to run on both serial and parallel computers.

  19. Fuzzy utility and equilibria.

    PubMed

    De Wilde, Philippe

    2004-08-01

    A decision maker is frequently confronted with fuzzy constraints, fuzzy utility maximization, and fuzziness about the state of competitors. In this paper we present a framework for fuzzy decision-making, using techniques from fuzzy logic, game theory, and micro-economics. In the first part, we study the rationality of fuzzy choice. We introduce fuzzy constraints, and show that this can easily be combined with maximizing a fuzzy utility. The second part of the paper analyzes games with uncertainty about the state of the competitors. We implement fuzzy Cournot adjustment, define equilibria, and study their stability. Finally, we show how a play progresses where the players have uncertainty about the state of the other players, and about their utility. For a likely procedure of utility maximization, the equilibria are the same as for the game without utility maximization. PMID:15462444

  20. Electric Utility Observers' Forum

    SciTech Connect

    Smartt, L.E.

    1982-05-13

    This second Observers' Forum of Public Utilities Fortnightly includes invited comments from 19 key legislators, utility consultants, and recognized figures in service industries on any subject to which the contributor wished to direct the attention of the industry leadership and which has a public-interest aspect. Participants were free to point to what they think the industry is doing, either right or wrong, and to areas where the industry might improve its performance. There is no single overriding message, but there is a prevalent mood that the electric-utility industry may have turned a corner despite some remaining problems.

  1. Sustainable biomass utilization

    SciTech Connect

    Harris, W.L.; Rosen, H.N.

    1995-11-01

    Interest in utilization of biomass for energy and industrial products is worldwide. This interest is being driven by a variety of concerns that include the rate of increase in fossil fuel consumption with associated greenhouse gas emissions, in-country energy security, and enhancement of rural economics. Interwoven in the discussions of enhancing biomass utilization is sustainability. The concept and understanding of sustainability are explored and discussed. The barriers and/or challenges that must be addressed and the viable solutions developed for a substantial increase in biomass utilization are presented.

  2. Dental care utilization over time.

    PubMed

    Beazoglou, T; Brown, L J; Heffley, D

    1993-12-01

    Between 1950 and 1978, per capita real dental expenditures in the U.S. grew at an average annual rate of 3.33%. Between 1978 and 1989 there was virtually no net growth in this measure of dental care utilization. This sharp curtailment of utilization growth has promoted debate about the sources of this change. Possible explanations include, among others, a reduction in dental disease due to increased exposure to fluoridation, the substitution of noncaloric sweeteners for refined sugar, preventive dentistry, , improved oral health habits, an increase in the net price of dental services, and the cost-containment efforts of insurers and employers. Changes have occurred in all of these variables, but little has done to isolate and quantify the individual effects. This decomposition is difficult, in part, because of the lack of an established model for time-series analysis of dental care utilization. A model of dental care demand, incorporating economic factors (out-of-pocket or net dental prices, per capita income, and nondental prices) as well as dietary factors (refined sugar consumption, noncaloric sweeteners, and exposure to fluoridated water), is combined with a simple model of dental care supply within an equilibrium framework. A two-stage estimation procedure is applied, using U.S. aggregate time-series data for the period 1950-89. Results show that economic and dietary factors are significantly related to changes in utilization. Net price and income elasticities of demand exhibit the expected signs and are compatible with estimates from cross-sectional studies. Decreases in cane and beet sugar consumption, facilitated by the increase in the use of noncaloric sweeteners, are associated with reductions in utilization. Fluoridation appears to be weakly but positively related to utilization. There also appears to have been a significant structural shift in demand since 1978. Overall goodness-of-fit is strong and the model accurately tracks the 1978-89 flattening of per capita real dental expenditures. Analysis of the relative contribution of each independent variable suggests that economic, dietary, and structural shift factors have contributed to this curtailment of growth. PMID:8303330

  3. PAM stack test utility

    Energy Science and Technology Software Center (ESTSC)

    2007-08-22

    The pamtest utility calls the normal PAM hooks using a service and username supplied on the command line. This allows an administratory to test any one of many configured PAM stacks as any existing user on the machine.

  4. Understanding the Utilities.

    ERIC Educational Resources Information Center

    Matthews, Joseph R.

    1980-01-01

    Briefly describes the origin and development of some major online bibliographic utilities, including the Ohio College Library Center (OCLC), the Research Libraries Information Network (RLIN), the University of Toronto Library Automation Systems (UTLAS), and the Washington Library Network (WLN). (FM)

  5. "Utilizing" signal detection theory.

    PubMed

    Lynn, Spencer K; Barrett, Lisa Feldman

    2014-09-01

    What do inferring what a person is thinking or feeling, judging a defendant's guilt, and navigating a dimly lit room have in common? They involve perceptual uncertainty (e.g., a scowling face might indicate anger or concentration, for which different responses are appropriate) and behavioral risk (e.g., a cost to making the wrong response). Signal detection theory describes these types of decisions. In this tutorial, we show how incorporating the economic concept of utility allows signal detection theory to serve as a model of optimal decision making, going beyond its common use as an analytic method. This utility approach to signal detection theory clarifies otherwise enigmatic influences of perceptual uncertainty on measures of decision-making performance (accuracy and optimality) and on behavior (an inverse relationship between bias magnitude and sensitivity optimizes utility). A "utilized" signal detection theory offers the possibility of expanding the phenomena that can be understood within a decision-making framework. PMID:25097061

  6. Utility Programming with Rexx.

    ERIC Educational Resources Information Center

    Rutherford, John

    1987-01-01

    Provides an overview of the Rexx programing language and presents a sample utility program to illustrate the advantages of the Rexx language as an alternative to Basic. Eight references are listed. (MES)

  7. Utility requirements for fusion

    SciTech Connect

    Vondrasek, R.J.

    1982-02-01

    This report describes work done and results obtained during performance of Task 1 of a study of Utility Requirements and Criteria for Fusion Options. The work consisted of developing a list of utility requirements for fusion optics containing definition of the requirements and showing their relative importance to the utility industry. The project team members developed a preliminary list which was refined by discussions and literature searches. The refined list was recast as a questionnaire which was sent to a substantial portion of the utility industry in this country. Forty-three questionnaire recipients responded including thirty-two utilities. A workshop was held to develop a revised requirements list using the survey responses as a major input. The list prepared by the workshop was further refined by a panel consisting of vice presidents of the three project team firms. The results of the study indicate that in addition to considering the cost of energy for a power plant, utilities consider twenty-three other requirements. Four of the requirements were judged to be vital to plant acceptability: Plant Capital Cost, Financial Liability, Plant Safety and Licensability.

  8. Part I: In situ pulse electrochemical deposition of platinum nanoparticles for efficient catalyst utilization in fuel cells. Part II: Fabrication and characterization of polyelectrolyte-quantum dot hybrid structures using layer-by-layer self assembly

    NASA Astrophysics Data System (ADS)

    Ranasinghe, Asanga Devinda

    2007-12-01

    This thesis work is entirely committed towards extensive research on application of polyelectrolytes/polyelectrolyte membranes on the fields of materials science and electroanalytical chemistry. Part I highlights development of new electroanalytical techniques to deposit the electrocatalyst in proton exchange membrane (PEM) fuel cells. In this section of thesis work the major directions are to improve our basic knowledge and understanding factors limiting the efficient use of the electrocatalyst in fuel cells and develop and optimize a means for overcoming these limitations. Initially systematic studies will be performed to identify the limitations associated with the commercially available fuel cells followed by optimizing and utilizing the methods developed in this thesis work to manufacture functioning hydrogen PEM fuel cells using NafionRTM membrane via in situ electrodeposition of Pt. This research involves a detailed optimization of the pulse electrodeposition technique to deposit Pt using NafionRTM membrane as a template. Characterization of these experiments were done using techniques such as Cyclic Voltammetry (CV), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Secondary Ion Mass Spectrometry (SIMS), Energy Dispersion X-ray Spectrometry (EDX) and Inductively Couple Plasma (ICP). Finally construction of hydrogen fuel cells was done by in situ pulse electrochemical deposition through complete membrane electrode assemblies. Much of the attention of Part II is dedicated to construct and characterize polyelectrolyte and quantum dot hybrid multilayer structures. Much of the attention is focused towards investigation of the Forster energy transfer processes between the donor polyelectrolytes (poly-p-phenylelvinylene, PPV) and the acceptor ZnS/CdSe core/shell quantum dots with respect to its separation. The work shown in Chapter 7 explains the process of introduction of quantum dots to these multilayer thin films and analysis of these hybrid structures using Laser Scanning Confocal Microscopy (LSCM), excited state life time decay studies and UV-Vis absorption studies.

  9. A novel bionic design of dental implant for promoting its long-term success using nerve growth factor (NGF): utilizing nano-springs to construct a stress-cushioning structure inside the implant.

    PubMed

    He, Hao; Yao, Yang; Wang, Yanying; Wu, Yingying; Yang, Yang; Gong, Ping

    2012-08-01

    The absence of periodontium causes masticatory load in excess of the self-repairing potential of peri-implant bone; peri-implant bone loss caused by occlusal overload is not uncommon in patients and greatly diminishes chances of long-term success. Regenerative treatments may be useful in inducing peri-implant bone regeneration, but are only stopgap solutions to the aftermaths caused by the imperfect biomechanical compatibility of the dental implant. Despite promising success, the tissue-engineered periodontal ligament still needs a period of time to be perfected before being clinically applied. Hence, we propose a novel design of dental implant that utilizes nano-springs to construct a stress-cushioning structure inside the implant. Many studies have shown that NGF, a neurotrophin, is effective for nerve regeneration in both animal and clinical studies. Moreover, NGF has the potential to accelerate bone healing in patients with fracture and fracture nonunion and improve osseointegration of the implant. The key point of the design is to reduce stress concentrated around peri-implant bone by cushioning masticatory forces and distributing them to all the peri-implant bone through nano-springs, and promote osseoperception and osseointegration by NGF-induced nerve regeneration and new bone formation. This design, which transfers the main biomechanical interface of the implant from outside to inside, if proven to be valid, may to some extent compensate for the functions of lost periodontium in stress cushioning and proprioception. PMID:22847209

  10. A novel bionic design of dental implant for promoting its long-term success using nerve growth factor (NGF): Utilizing nano-springs to construct a stress-cushioning structure inside the implant

    PubMed Central

    He, Hao; Yao, Yang; Wang, Yanying; Wu, Yingying; Yang, Yang; Gong, Ping

    2012-01-01

    Summary The absence of periodontium causes masticatory load in excess of the self-repairing potential of peri-implant bone; peri-implant bone loss caused by occlusal overload is not uncommon in patients and greatly diminishes chances of long-term success. Regenerative treatments may be useful in inducing peri-implant bone regeneration, but are only stopgap solutions to the aftermaths caused by the imperfect biomechanical compatibility of the dental implant. Despite promising success, the tissue-engineered periodontal ligament still needs a period of time to be perfected before being clinically applied. Hence, we propose a novel design of dental implant that utilizes nano-springs to construct a stress-cushioning structure inside the implant. Many studies have shown that NGF, a neurotrophin, is effective for nerve regeneration in both animal and clinical studies. Moreover, NGF has the potential to accelerate bone healing in patients with fracture and fracture nonunion and improve osseointegration of the implant. The key point of the design is to reduce stress concentrated around peri-implant bone by cushioning masticatory forces and distributing them to all the peri-implant bone through nano-springs, and promote osseoperception and osseointegration by NGF-induced nerve regeneration and new bone formation. This design, which transfers the main biomechanical interface of the implant from outside to inside, if proven to be valid, may to some extent compensate for the functions of lost periodontium in stress cushioning and proprioception. PMID:22847209

  11. Synchrotron-based soft X-ray spectroscopic studies of the electronic structure of organic semiconducting molecules

    NASA Astrophysics Data System (ADS)

    Demasi, Alexander

    Organic molecules have been the subject of many scientific studies due to their potential for use in a new generation of optoelectronic and semiconducting devices, such as organic photovoltaics and organic light emitting diodes. These studies are motivated by the fact that organic semiconductor devices have several advantages over traditional inorganic semiconductor devices. Unlike inorganic semiconductors, where the electronic properties are a result of the deliberate introduction of dopants to the material, the properties of organic semiconductors are often intrinsic to the molecules themselves. As a result, organic semiconductor devices are frequently less susceptible to contamination by impurities than their inorganic counterparts, which results in the relatively lower cost of producing such devices. Accurate experimental determination of the bulk and surface electronic structure of organic semiconductors is a prerequisite in developing a comprehensive understanding of such materials. The organic materials studied in this thesis were N,N-Ethylene-bis(1,1,1trifluoropentane-2,4-dioneiminato)-copper(ii) (abbreviated Cu-TFAC), aluminum tris-8hydroxyquinoline (A1g3), lithium quinolate (Liq), tetracyanoquinodimethane (TCNQ), and tetrafluorotetracyanoquinodimethane (F4TCNQ). The electronic structures of these materials were measured with several synchrotron-based x-ray spectroscopies. X-ray photoemission spectroscopy was used to measure the occupied total density of states and the core-level states of the aforementioned materials. X-ray absorption spectroscopy (XAS) was used to probe the element-specific unoccupied partial density of states (PDOS); its angle-resolved variant was used to measure the orientation of the molecules in a film and, in some circumstances, to gauge the extent of an organic film's crystallinity. Most notably, x-ray emission spectroscopy (XES) measures the element- specific occupied PDOS and, when aided by XAS, resonant XES can additionally be used to probe the electronic structure of individual atomic sites within a molecule. Most of the results in this thesis are accompanied by the results of electronic structure calculations determined with density functional theory (DFT). DFT is a useful aid in interpreting the results of the x-ray spectroscopies employed. The experimental results, combined with DFT calculations, provide a wealth of information regarding the electronic structures of these organic materials. v

  12. Utility terrestrial biodiversity issues

    SciTech Connect

    Breece, G.A.; Ward, B.J.

    1996-11-01

    Results from a survey of power utility biologists indicate that terrestrial biodiversity is considered a major issued by only a few utilities; however, a majority believe it may be a future issue. Over half of the respondents indicated that their company is involved in some management for biodiversity, and nearly all feel that it should be a goal for resource management. Only a few utilities are funding biodiversity research, but a majority felt more research was needed. Generally, larger utilities with extensive land holdings had greater opportunities and resources for biodiversity management. Biodiversity will most likely be a concern with transmission rights-of-way construction and maintenance, endangered species issues and general land resource management, including mining reclamation and hydro relicensing commitments. Over half of the companies surveyed have established voluntary partnerships with management groups, and biodiversity is a goal in nearly all the joint projects. Endangered species management and protection, prevention of forest fragmentation, wetland protection, and habitat creation and protection are the most common partnerships involving utility companies. Common management practices and unique approaches are presented, along with details of the survey. 4 refs.

  13. Photovoltaics and electric utilities

    NASA Astrophysics Data System (ADS)

    Bright, R.; Leigh, R.; Sills, T.

    1981-12-01

    The long term value of grid connected, residential photovoltaic (PV) systems is determined. The value of the PV electricity is defined as the full avoided cost in accordance with the Public Utilities Regulatory Policies Act of 1978. The avoided cost is computed using a long range utility planning approach to measure revenue requirement changes in response to the time phased introduction of PV systems into the grid. A case study approach to three utility systems is used. The changing value of PV electricity over a twenty year period from 1985 is presented, and the fuel and capital savings due to FY are analyzed. These values are translated into measures of breakeven capital investment under several options of power interchange and pricing.

  14. Utility perspective on repowering

    SciTech Connect

    Dunn, R.W.

    1995-06-01

    Repowering of existing fossil fired steam generation is an attractive alternative for utilities today. The repowered plant optimizes the re-use of the existing steam turbine generator and auxiliary assets along with the installation of clean, modern, efficient combustion turbine generators. The conversion results in a plant which compares favorably on a performance basis with a totally new {open_quotes}greenfield{close_quotes} plant, but is lower in capital cost. In addition, repowering makes prudent use of existing utility sites, infrastructure, and experience to provide the lowest cost energy for the end customer.

  15. One utility`s approach to radwaste

    SciTech Connect

    O`Brian, G.

    1995-11-01

    Recently, the Northern States Power Company (NSP) has taken a {open_quotes}very active{close_quotes} role in the High-Level Waste (HLW) issue. This decision was not an easy one for NSP which has traditionally been satisfied with remaining silent politically and active technically. However, all of the excellent technical efforts could go for naught based on a single political decision. In as much as the HLW and Low-Level Waste (LLW) issues are being decided in the political arena, I believe the industry can learn from our experience with the HLW issue. Therefore, I will explain the scenario of events and NSP`s reactions surrounding dry cask storage at NSP`s Prairie Island Nuclear Generating Plant, and how these reactions have helped us deal with the LLW issue. During the Plant Life EXtension (PLEX) project at the Monticello Nuclear Generating Plant, four critical issues were identified as requiring resolution prior to NSP committing additional resources toward the PLEX project. The HLW and LLW issues were among the list. Although the importance of the two issues had been realized prior to 1990, NSP did not make any appreciable changes to address either of these issues until an amendment was made in the 1992 Minnesota legislative session which would have removed the decision to approve the Prairie Island dry cask storage project from the jurisdiction of the Public Utilities Commission (PUC) and shifted it to the state legislature. Several plant employees met at the state capitol throughout the week to lobby against the amendment. Ultimately, the amendment was debated on the Senate floor and failed.

  16. Utilizing Foundational Perspectives.

    ERIC Educational Resources Information Center

    Educational Foundations, 1991

    1991-01-01

    This theme issue of "Educational Foundations" contains five articles that utilize an array of foundational perspectives that give reader insight into the organization of schools, the viewpoints of children and parents, the ideological and political nature of community organizing, and mathematics instruction in the Soviet Union. In "Cooperative

  17. Module utilization committee

    NASA Astrophysics Data System (ADS)

    Volkmer, K.; Praver, G.

    1984-03-01

    Photovoltaic collector modules were declared surplus to the needs of the U.S. Dept. of Energy. The Module Utilization Committee was formed to make appropriate disposition of the surplus modules on a national basis and to act as a broker for requests for these modules originating outside of the National Photovoltaics Program.

  18. Technology utilization program report

    NASA Technical Reports Server (NTRS)

    1974-01-01

    The application of aerospace technology to the solution of public health and industrial problems is reported. Data cover: (1) development of an externally rechargeable cardiac pacemaker, (2) utilization of ferrofluids-colloidal suspensions of ferrite particles - in the efficient separation of nonferrous metals as Ni, Zn, Cu, and Al from shredded automobile scrap, and (3) development of a breathing system for fire fighters.

  19. Male Adolescent Contraceptive Utilization.

    ERIC Educational Resources Information Center

    Finkel, Madelon Lubin; Finkel, David J.

    1978-01-01

    The contraceptive utilization of a sample of sexually active, urban, high school males (Black, Hispanic, and White) was examined by anonymous questionnaire. Contraceptive use was haphazard, but White males tended to be more effective contraceptors than the other two groups. Reasons for nonuse were also studied. (Author/SJL)

  20. A Classroom Mathematics Utility.

    ERIC Educational Resources Information Center

    Williams, Michael

    1984-01-01

    Reviews CATUSPLOT, a mathematics utility aimed at high school algebra through college-level calculus. Basic program capabilities include plotting, tabulating, integrating, and locating of intersections of functions composed of combinations of polynomial, trigonometric, and exponential functions. Rated excellent on all areas examined…

  1. Waste tire utilization

    SciTech Connect

    Hershey, R.L.; Waugh, M.D.; Hanny, E.J.

    1987-04-30

    Waste tire accumulations have become an increasingly important problem in recent years. This is of interest to DOE because the scrapped tires represent a large energy resource, and many requests for information have been received. Therefore, this report has been prepared to help in implementing waste tire utilization technologies.

  2. Administrative Utility Analysis: Appendices.

    ERIC Educational Resources Information Center

    Peat, Marwick, Mitchell and Co., San Juan, Puerto Rico.

    Appendixes to a study on administrative utility analysis and vocational education programs for the Area of Vocational and Technical Education (AVTE) in the Puerto Rico Department of Education contain the planning and budgeting system elements, position descriptions, and information on the growth of vocational education in Puerto Rico. The elements…

  3. Classroom Use and Utilization.

    ERIC Educational Resources Information Center

    Fink, Ira

    2002-01-01

    Discusses how classrooms are distributed by size on a campus, how well they are used, and how their use changes with faculty and student needs and desires. Details how to analyze classroom space, use, and utilization, taking into account such factors as scheduling and classroom stations. (EV)

  4. Module utilization committee

    NASA Technical Reports Server (NTRS)

    Volkmer, K.; Praver, G.

    1984-01-01

    Photovoltaic collector modules were declared surplus to the needs of the U.S. Dept. of Energy. The Module Utilization Committee was formed to make appropriate disposition of the surplus modules on a national basis and to act as a broker for requests for these modules originating outside of the National Photovoltaics Program.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. MTV Utility Library

    Energy Science and Technology Software Center (ESTSC)

    2008-02-29

    The MSV Java Utility Library contains software developed over many years for many sponsors. (This work is not a derivative of CB-EMIS), but rather support to the CB-EMIS software). Projects that have used and contributed to code in this library: CB-EMIS (PROTECT), BWIC, Fort Future, Teva, Integrated Oceans, ENKIMDU, RCW, JEMS, JWACS, EPA watershed, and many others. This library will continue to be used in other non-CB-EMIS related projects. The components include: Spatial components: Multi-coordinatemore » system spatial objects. 2D spatial indexing system, and polygon griding system. Data translation: Allows import and export of file based data to and from object oriented systems. Multi-platform data streams: Allows platform specific data streams to operate on any support platform. Other items include printing, custom GUI components, support for NIMA Raster Product Format, program logging utilities and others.« less

  7. MTV Utility Library

    SciTech Connect

    Lurie, Gordon; Taxon, Thomas; Kehrer, Michelle; Simunich, Kathy Lee

    2008-02-29

    The MSV Java Utility Library contains software developed over many years for many sponsors. (This work is not a derivative of CB-EMIS), but rather support to the CB-EMIS software). Projects that have used and contributed to code in this library: CB-EMIS (PROTECT), BWIC, Fort Future, Teva, Integrated Oceans, ENKIMDU, RCW, JEMS, JWACS, EPA watershed, and many others. This library will continue to be used in other non-CB-EMIS related projects. The components include: Spatial components: Multi-coordinate system spatial objects. 2D spatial indexing system, and polygon griding system. Data translation: Allows import and export of file based data to and from object oriented systems. Multi-platform data streams: Allows platform specific data streams to operate on any support platform. Other items include printing, custom GUI components, support for NIMA Raster Product Format, program logging utilities and others.

  8. Helping Water Utilities Grapple with Climate Change

    NASA Astrophysics Data System (ADS)

    Yates, D.; Gracely, B.; Miller, K.

    2008-12-01

    The Water Research Foundation (WRF), serving the drinking water industry and the National Center for Atmospheric Research (NCAR) are collaborating on an effort to develop and implement locally-relevant, structured processes to help water utilities consider the impacts and adaptation options that climate variability and change might have on their water systems. Adopting a case-study approach, the structured process include 1) a problem definition phase, focused on identifying goals, information needs, utility vulnerabilities and possible adaptation options in the face of climate and hydrologic uncertainty; 2) developing and/or modifying system-specific Integrated Water Resource Management (IWRM) models and conducting sensitivity analysis to identify critical variables; 3) developing probabilistic climate change scenarios focused on exploring uncertainties identified as important in the sensitivity analysis in step 2; and 4) implementing the structured process and examining approaches decision making under uncertainty. Collaborators include seven drinking water utilities and two state agencies: 1) The Inland Empire Utility Agency, CA; 2) The El Dorado Irrigation District, Placerville CA; 2) Portland Water Bureau, Portland OR; 3) Colorado Springs Utilities, Colo Spgs, CO; 4) Cincinnati Water, Cincinnati, OH; 5) Massachusetts Water Resources Authority (MWRA), Boston, MA; 6) Durham Water, Durham, NC; and 7) Palm Beach County Water (PBCW), Palm Beach, FL. The California Department of Water Resources and the Colorado Water Conservation Board were the state agencies that we have collaborated with.

  9. Microbial Cellulose Utilization: Fundamentals and Biotechnology

    PubMed Central

    Lynd, Lee R.; Weimer, Paul J.; van Zyl, Willem H.; Pretorius, Isak S.

    2002-01-01

    Fundamental features of microbial cellulose utilization are examined at successively higher levels of aggregation encompassing the structure and composition of cellulosic biomass, taxonomic diversity, cellulase enzyme systems, molecular biology of cellulase enzymes, physiology of cellulolytic microorganisms, ecological aspects of cellulase-degrading communities, and rate-limiting factors in nature. The methodological basis for studying microbial cellulose utilization is considered relative to quantification of cells and enzymes in the presence of solid substrates as well as apparatus and analysis for cellulose-grown continuous cultures. Quantitative description of cellulose hydrolysis is addressed with respect to adsorption of cellulase enzymes, rates of enzymatic hydrolysis, bioenergetics of microbial cellulose utilization, kinetics of microbial cellulose utilization, and contrasting features compared to soluble substrate kinetics. A biological perspective on processing cellulosic biomass is presented, including features of pretreated substrates and alternative process configurations. Organism development is considered for “consolidated bioprocessing” (CBP), in which the production of cellulolytic enzymes, hydrolysis of biomass, and fermentation of resulting sugars to desired products occur in one step. Two organism development strategies for CBP are examined: (i) improve product yield and tolerance in microorganisms able to utilize cellulose, or (ii) express a heterologous system for cellulose hydrolysis and utilization in microorganisms that exhibit high product yield and tolerance. A concluding discussion identifies unresolved issues pertaining to microbial cellulose utilization, suggests approaches by which such issues might be resolved, and contrasts a microbially oriented cellulose hydrolysis paradigm to the more conventional enzymatically oriented paradigm in both fundamental and applied contexts. PMID:12209002

  10. Energy utilization in phonation

    NASA Astrophysics Data System (ADS)

    Krane, Michael

    2015-11-01

    A control volume analysis of energy utilization in phonation is presented. Conversion of subglottal airstream potential energy into work done vibrating the vocal folds, air flowing through the glottis, and radiating sound are described. An approximate numerical model is used to compute the contributions of each of these mechanisms, as a function of subglottal pressure, for normal phonation. An efficiency measure for each energy conversion mechanism is proposed. Acknowledge NIH grant 2R01 2R01DC005642.

  11. NASA's Technology Utilization Program.

    NASA Technical Reports Server (NTRS)

    Farley, C. F.

    1972-01-01

    NASA's Technology Utilization Program is described, illustrating how it can be useful in achieving improved productivity, providing more jobs, solving public sector challenges, and strengthening the international competitive situation. Underlying the program is the fact that research and development conducted in NASA's aeronautics and space programs have generated much technical information concerning processes, products, or techniques which may be useful to engineers, doctors, or to others. The program is based on acquisition and publication, working with the user, and applications engineering.

  12. Seasat data utilization project

    NASA Technical Reports Server (NTRS)

    Born, G. H.; Held, D. N.; Lame, D. B.; Lipes, R. G.; Montgomery, D. R.; Rygh, P. J.; Scott, J. F.

    1981-01-01

    During the three months of orbital operations, the satellite returned data from the world's oceans. Dozens of tropical storms, hurricanes and typhoons were observed, and two planned major intensive surface truth experiments were conducted. The utility of the Seasat-A microwave sensors as oceanographic tools was determined. Sensor and geophysical evaluations are discussed, including surface observations, and evaluation summaries of an altimeter, a scatterometer, a scanning multichannel microwave radiometer, a synthetic aperture radar, and a visible and infrared radiometer.

  13. Windpower utilization possibilities

    NASA Astrophysics Data System (ADS)

    Hoetzel, C.

    1982-01-01

    The possibilities of windpower utilization for mechanical pumps, electric generators, mechanical water vortex pumps, and heat pumps are reviewed. Application possibilities can be realized by windpower systems of different size. It must however be determined for which purpose and for which power range they are used. The site and the concomitant wind potential is of utmost importance. Small units in the 10 kW power range are very interesting for autonomous or semiautonomous energy supply.

  14. Utility-Directed Presentation of Simulation Results

    PubMed Central

    McLaughlin, Janet

    1988-01-01

    Consideration of the user's preferences when generating a presentation of a simulation results in a concise and expressive explanation tailored to the user. The approach consists of (1) generating a simulation, (2) ascertaining the user's presentation utility, (3) applying linear programming to optimize the utility function, and (4) generating a presentation based on the optimized presentation utility function. This research investigates the application of multiattribute utilities to presentations of simulation results. Presentations of simulations divide naturally into two types: presentations of the model (structural descriptions) and presentations of the results (behavioral descriptions). In particular this research illustrates the use of user's preferences for completeness, complexity, and effectiveness when presenting the simulation results of a four compartment glucose model. Considering user's preferences of three classes, novices, researchers, and clinicians, illustrates a possible range of simulation presentations.

  15. Evolution of selenium utilization traits

    PubMed Central

    Romero, Héctor; Zhang, Yan; Gladyshev, Vadim N; Salinas, Gustavo

    2005-01-01

    Background The essential trace element selenium is used in a wide variety of biological processes. Selenocysteine (Sec), the 21st amino acid, is co-translationally incorporated into a restricted set of proteins. It is encoded by an UGA codon with the help of tRNASec (SelC), Sec-specific elongation factor (SelB) and a cis-acting mRNA structure (SECIS element). In addition, Sec synthase (SelA) and selenophosphate synthetase (SelD) are involved in the biosynthesis of Sec on the tRNASec. Selenium is also found in the form of 2-selenouridine, a modified base present in the wobble position of certain tRNAs, whose synthesis is catalyzed by YbbB using selenophosphate as a precursor. Results We analyzed completely sequenced genomes for occurrence of the selA, B, C, D and ybbB genes. We found that selB and selC are gene signatures for the Sec-decoding trait. However, selD is also present in organisms that do not utilize Sec, and shows association with either selA, B, C and/or ybbB. Thus, selD defines the overall selenium utilization. A global species map of Sec-decoding and 2-selenouridine synthesis traits is provided based on the presence/absence pattern of selenium-utilization genes. The phylogenies of these genes were inferred and compared to organismal phylogenies, which identified horizontal gene transfer (HGT) events involving both traits. Conclusion These results provide evidence for the ancient origin of these traits, their independent maintenance, and a highly dynamic evolutionary process that can be explained as the result of speciation, differential gene loss and HGT. The latter demonstrated that the loss of these traits is not irreversible as previously thought. PMID:16086848

  16. Gas utility mapping using GPS

    SciTech Connect

    Anderson, L.B.; Makemson, J.

    1996-08-01

    With the implementation of GIS in 1994, the City of Tallahassee Gas Utility Department needed to verify the location and condition of our infrastructure. Accuracy and efficiency are needed when called to locate for third party utilities. This paper will focus on our Department`s GIS field data collection methodology and results using GPS and laser rangefinders. We began our project in March 1995 by selecting a 3/4 square mile pilot project area and designing a methodology for data collection. We evaluated the various GPS units on the market that would provide submeter accuracy in real-time. The ability to easily convert field data to Arc/Info coverages was also a requirement. The project team consists of a three man survey crew, and a data entry operator. The GIS Coordinator is responsible for the project coordination. GPS data collection for the pilot project area has been completed and uploaded into our GIS. Presently, we are scanning photographs and as-builts of the houses and buildings which have gas service in the pilot project area. We are also scanning the as-builts of the mains, valves and regulator stations within that area. Laser rangefinder input to the GPS receiver will be used to record position and attribute information where GPS signal is obstructed, such as gas meters set next to structures.

  17. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 18 Conservation of Power and Water Resources 2 2011-04-01 2011-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  18. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 18 Conservation of Power and Water Resources 2 2014-04-01 2014-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  19. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 18 Conservation of Power and Water Resources 2 2012-04-01 2012-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  20. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 18 Conservation of Power and Water Resources 2 2013-04-01 2012-04-01 true Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  1. Distillers Grains: Production, Properties and Utilization (Book)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The book, Distillers Grains: Production, Properties and Utilization, brings together cutting edge information on many aspects of DDGS. It consists of six major sections, having 26 chapters in total. Section 1 has six chapters and covers introduction, perspectives, history, structure and compositio...

  2. Market research for electric utilities

    SciTech Connect

    Shippee, G.

    1999-12-01

    Marketing research is increasing in importance as utilities become more marketing oriented. Marketing research managers need to maintain autonomy from the marketing director or ad agency and make sure their work is relevant to the utility's operation. This article will outline a model marketing research program for an electric utility. While a utility may not conduct each and every type of research described, the programs presented offer a smorgasbord of activities which successful electric utility marketers often use or have access to.

  3. Coming utility squeeze play

    SciTech Connect

    Stoiaken, L.N.

    1988-02-01

    Like a sleeping giant, utilities are waking up and preparing to participate in the increasingly competitive power production industry. Some are establishing subsidiaries to participate in join venture deals with independents. Others are competing by offering lucrative discount or deferral rates to important industrial and commercial customers considering cogeneration. And now, a third approach is beginning to shape up- the disaggregation of generation assets into a separate generation company, or genco. This article briefly discusses these three and also devotes brief sections to functional segmentation and The regulatory arena.

  4. Biogas: Production and utilization

    NASA Astrophysics Data System (ADS)

    Price, E. C.; Cheremisinoff, P. N.

    Among the aspects of biogas production and utilization covered are: (1) the microbiology and biochemistry of the acid and methane production stages in the anaerobic process; (2) factors affecting the process, such as temperature, acidity and alkalinity, nutrients, and cations; (3) denitrification processes and systems; and (4) the process kinetics of suspended growth systems, packed columns, and fluidized beds. Also considered are such issues in the application of this technology as the digestion of municipal treatment plant sludges, animal wastes, food processing wastes and energy crops. Attention is in addition given to anaerobic digester design, offgas measurement of anaerobic digesters, and sludge treatment through soil conditioning and composting.

  5. TRW utility demonstration unit

    SciTech Connect

    Not Available

    1990-01-01

    The TRW Advanced Entrained Coal Combustor Demonstration Project consists of retrofitting Orange and Rockland (O R) Utility Corporation's Lovett Plant Unit No. 3 with four (4) slagging combustors which will allow the gas/oil unit to fire 2.5% sulfur coal. The slagging combustor process will provide NO{sub x} and SO{sub x} emissions that meet NSPS and New York State Environmental Standards. During this report period, activity continued to address the total program funding shortfall. Ideas and responsibilities for further evaluation have been put forward to reduce the shortfall. In addition, an effort aimed at gaining additional program sponsorships, was initiated.

  6. Space Resources Utilization Roundtable

    NASA Technical Reports Server (NTRS)

    1999-01-01

    This volume contains abstracts that have been accepted for presentation at the Space Resources Utilization Roundtable, October 27-29, 1999, in Golden, Colorado. The program committee consisted of M. B. Duke (Lunar and Planetary Institute), G. Baughman (Colorado School of Mines), D. Criswell (University of Houston), C. Graham (Canadian Mining Industry Research Organization), H. H. Schmitt (Apollo Astronaut), W. Sharp (Colorado School of Mines), L. Taylor (University of Tennessee), and a space manufacturing representative. Administration and publications support for this meeting were provided by the staff of the Publications and Program Services Department at the Lunar and Planetary Institute.

  7. Tribal Utility Feasibility Study

    SciTech Connect

    Engel, R. A.; Zoellick, J. J.

    2007-06-30

    The Schatz Energy Research Center (SERC) assisted the Yurok Tribe in investigating the feasibility of creating a permanent energy services program for the Tribe. The original purpose of the DOE grant that funded this project was to determine the feasibility of creating a full-blown Yurok Tribal electric utility to buy and sell electric power and own and maintain all electric power infrastructure on the Reservation. The original project consultant found this opportunity to be infeasible for the Tribe. When SERC took over as project consultant, we took a different approach. We explored opportunities for the Tribe to develop its own renewable energy resources for use on the Reservation and/or off-Reservation sales as a means of generating revenue for the Tribe. We also looked at ways the Tribe can provide energy services to its members and how to fund such efforts. We identified opportunities for the development of renewable energy resources and energy services on the Yurok Reservation that fall into five basic categories: • Demand-side management – This refers to efforts to reduce energy use through energy efficiency and conservation measures. • Off-grid, facility and household scale renewable energy systems – These systems can provide electricity to individual homes and Tribal facilities in areas of the Reservation that do not currently have access to the electric utility grid. • Village scale, micro-grid renewable energy systems - These are larger scale systems that can provide electricity to interconnected groups of homes and Tribal facilities in areas of the Reservation that do not have access to the conventional electric grid. This will require the development of miniature electric grids to serve these interconnected facilities. • Medium to large scale renewable energy development for sale to the grid – In areas where viable renewable energy resources exist and there is access to the conventional electric utility grid, these resources can be developed and sold to the wholesale electricity market. • Facility scale, net metered renewable energy systems – These are renewable energy systems that provide power to individual households or facilities that are connected to conventional electric utility grid.

  8. Utility Static Generation Reliability

    Energy Science and Technology Software Center (ESTSC)

    1993-03-05

    PICES (Probabilistic Investigation of Capacity and Energy Shortages) was developed for estimating an electric utility''s expected frequency and duration of capacity deficiencies on a daily on and off-peak basis. In addition to the system loss-of-load probability (LOLP) and loss-of-load expectation (LOLE) indices, PICES calculates the expected frequency and duration of system capacity deficiencies and the probability, expectation, and expected frequency and duration of a range of system reserve margin states. Results are aggregated and printedmore » on a weekly, monthly, or annual basis. The program employs hourly load data and either the two-state (on/off) or a more sophisticated three-state (on/partially on/fully off) generating unit representation. Unit maintenance schedules are determined on a weekly, levelized reserve margin basis. In addition to the 8760-hour annual load record, the user provides the following information for each unit: plant capacity, annual maintenance requirement, two or three-state unit failure and repair rates, and for three-state models, the partial state capacity deficiency. PICES can also supply default failure and repair rate values, based on the Edison Electric Institute''s 1979 Report on Equipment Availability for the Ten-Year Period 1968 Through 1977, for many common plant types. Multi-year analysis can be performed by specifying as input data the annual peak load growth rates and plant addition and retirement schedules for each year in the study.« less

  9. Intelligent utility meter system

    SciTech Connect

    Frew, L.H.; Fuller, M.L.

    1989-02-07

    An intelligent utility meter system installation is described for measuring A.C. electric energy having repetitive A.C. cycles, comprising: (1) an ''outside'' principal meter unit including: (a) means for sampling current and voltage and for calculating power consumption at least 300 times per second; the sampling occurring asynchronously and not in any fixed time relationship with respect to the A.C. electricity cycles; (b) the outside unit further including means for determining the total kilowatt hours used, and the present billing status; and (c) alphanumeric display means for displaying power being used, total kilowatt hours and present billing status; (2) a remote ''inside'' unit including: (a) alphanumeric means for displaying the information displayed by the ''outside'' unit; (b) means for selectively retaining a desired continuously updated display; and (c) means for reading a credit card and automatically changing the billing status information within the intelligent utility meter as credit card information is read; and (3) the system including means for determining both the magnitude and direction of the electric power passing through the meter system.

  10. Lunar construction utility vehicle

    NASA Technical Reports Server (NTRS)

    1989-01-01

    The lunar construction utility vehicle (LCUV) is an all-purpose construction vehicle which will aid in the robotic assembly of a lunar outpost. The LCUV will have the following capabilities: (1) must be self supporting including repairs; (2) must offload itself from a lunar lander; (3) must be telerobotic and semi-autonomous; (4) must be able to transport one space station common module; (5) must allow for man-rated operation; and (6) must be able to move lunar regolith for site preparation. This study recommends the use of an elastic tracked vehicle. Detailed material analyses of most of the LCUV components were accomplished. The body frame, made of pinned truss elements, was stress analyzed using NASTRAN. A track connection system was developed; however, kinematic and stress analyses are still required. This design recommends the use of hydrogen-oxygen fuel cells for power. Thermal control has proven to be a problem which may be the most challenging technically. A tentative solution has been proposed which utilizes an onboard and towable radiator. Detailed study of the heat dissipation requirements is needed to finalize radiator sizing. Preliminary work on a man-rated cabin has begun; however, this is not required during the first mission phase of the LCUV. Finally, still in the conceptual phases, are the communication, navigation and mechanical arm systems.

  11. Proceedings of the distributed utility valuation project institutional issues workshop

    SciTech Connect

    Not Available

    1994-09-01

    These proceedings summarize the discussions during a one-day working session on institutional issues related to the distributed utility (DU) concept. The purpose of the session was to provide an initial assessment of the {open_quotes}institutional{close_quotes} issues, including legal, regulatory, industry structure, utility organization, competition, and related matters that may affect the development and the relationships among distributed utility stakeholders. The assessment was to identify institutional barriers to utilities realizing benefits of the distributed concept (should these benefits be confirmed), as well as to identify opportunities for utilities and other stakeholders for moving ahead to more easily capture these benefits.

  12. Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2) Utilizing Structure-Based Drug Design.

    PubMed

    Han, Wooseok; Ding, Yu; Xu, Yongjin; Pfister, Keith; Zhu, Shejin; Warne, Bob; Doyle, Mike; Aikawa, Mina; Amiri, Payman; Appleton, Brent; Stuart, Darrin D; Fanidi, Abdallah; Shafer, Cynthia M

    2016-04-14

    The discovery of a highly potent and selective small molecule inhibitor 9 for in vitro target validation of MNK1/2 kinases is described. The aminopyrazine benzimidazole series was derived from an HTS hit and optimized by utilization of a docking model, conformation analysis, and binding pocket comparison against antitargets. PMID:27002243

  13. Primer on electric-utility deregulation

    SciTech Connect

    Not Available

    1982-08-01

    This primer on deregulation of the electric utility industry presents material on various subjects that are important for assessing the merits and weaknesses of alternative proposals and for generally understanding the meaning and implications of deregulation. It reviews: (a) the structure of the utility industry, its operation and its technology, with an emphasis placed on economies of scale and the benefits/problems of increased competition; (b) economic regulation, its criticisms and its prospects for improvement; and (c) the host of deregulation proposals and the few analytic studies of deregulation.

  14. Phosphonate utilization by bacteria.

    PubMed Central

    Cook, A M; Daughton, C G; Alexander, M

    1978-01-01

    Bacteria able to use at least one of 13 ionic alkylphosphonates of O-alkyl or O,O-dialkyl alkylphosphonates as phosphorus sources were isolated from sewage and soil. Four of these isolates used 2-aminoethylphosphonic acid (AEP) as a sole carbon, nitrogen, and phosphorus source. None of the other phosphonates served as a carbon source for the organisms. One isolate, identified as Pseudomonas putida, grew with AEP as its sole carbon, nitrogen, and phosphorus source and released nearly all of the organic phosphorus as orthophosphate and 72% of the AEP nitrogen as ammonium. This is the first demonstration of utilization of a phosphonoalkyl moiety as a sole carbon source. Cell-free extracts of P. putida contained an inducible enzyme system that required pyruvate and pyridoxal phosphate to release orthophosphate from AEP; acetaldehyde was tentatively identified as a second product. Phosphite inhibited the enzyme system. PMID:618850

  15. Optimal Electric Utility Expansion

    Energy Science and Technology Software Center (ESTSC)

    1989-10-10

    SAGE-WASP is designed to find the optimal generation expansion policy for an electrical utility system. New units can be automatically selected from a user-supplied list of expansion candidates which can include hydroelectric and pumped storage projects. The existing system is modeled. The calculational procedure takes into account user restrictions to limit generation configurations to an area of economic interest. The optimization program reports whether the restrictions acted as a constraint on the solution. All expansionmore » configurations considered are required to pass a user supplied reliability criterion. The discount rate and escalation rate are treated separately for each expansion candidate and for each fuel type. All expenditures are separated into local and foreign accounts, and a weighting factor can be applied to foreign expenditures.« less

  16. Administrative Utility Analysis.

    ERIC Educational Resources Information Center

    Peat, Marwick, Mitchell and Co., San Juan, Puerto Rico.

    Puerto Rico's economic growth has accentuated the need for a larger vocational education program capable of handling the demand for occupationally-trained personnel. The Area of Vocational and Technical Education (AVTE) operates within the general structure of the Puerto Rico Department of Education, and AVTE programs must be adapted to the growth…

  17. Structural properties of Alq3 nanocrystals prepared by physical vapor deposition and facile solution method

    NASA Astrophysics Data System (ADS)

    Xie, Wanfeng; Pang, Zhiyong; Fan, Jihui; Song, Hui; Jiang, Feng; Yuan, Huimin; Li, Jianfei; Ji, Ziwu; Han, Shenghao

    2015-09-01

    Tris(8-hydroxyquinoline) aluminum (Alq3) nanostructures are promising materials for nanooptoelectronic devices and molecular spintronics. In this paper, we report Alq3 nanocrystals prepared by both physical vapor deposition (PVD) and facile solution method. The transmission electron microscopy (TEM) and high resolution scanning electron microscope (SEM) measurements show that the Alq3 nanomaterials prepared by PVD technique are ɛ-Alq3 nanoflowers, while the Alq3 nanostructures prepared by solution method are α-Alq3 nanorods. Our experiments indicate that the α-Alq3 nanomaterials prepared by using solution method are more suitable for the fabrication of molecular spintronic devices than that of PVD method.

  18. MODEL FOR NON-EQUILIBRIUM BINDING AND AFFINITY CHROMATOGRAPHY WITH CHARACTERIZATION OF 8-HYDROXYQUINOLINE IMMOBILIZED ON CONTROLLED PORE GLASS USING A FLOW INJECTION SYSTEM WITH A PACKED MICRO-COLUMN. (R826694C651)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  19. YEAR 2 BIOMASS UTILIZATION

    SciTech Connect

    Christopher J. Zygarlicke

    2004-11-01

    This Energy & Environmental Research Center (EERC) Year 2 Biomass Utilization Final Technical Report summarizes multiple projects in biopower or bioenergy, transportation biofuels, and bioproducts. A prototype of a novel advanced power system, termed the high-temperature air furnace (HITAF), was tested for performance while converting biomass and coal blends to energy. Three biomass fuels--wood residue or hog fuel, corn stover, and switchgrass--and Wyoming subbituminous coal were acquired for combustion tests in the 3-million-Btu/hr system. Blend levels were 20% biomass--80% coal on a heat basis. Hog fuel was prepared for the upcoming combustion test by air-drying and processing through a hammer mill and screen. A K-Tron biomass feeder capable of operating in both gravimetric and volumetric modes was selected as the HITAF feed system. Two oxide dispersion-strengthened (ODS) alloys that would be used in the HITAF high-temperature heat exchanger were tested for slag corrosion rates. An alumina layer formed on one particular alloy, which was more corrosion-resistant than a chromia layer that formed on the other alloy. Research activities were completed in the development of an atmospheric pressure, fluidized-bed pyrolysis-type system called the controlled spontaneous reactor (CSR), which is used to process and condition biomass. Tree trimmings were physically and chemically altered by the CSR process, resulting in a fuel that was very suitable for feeding into a coal combustion or gasification system with little or no feed system modifications required. Experimental procedures were successful for producing hydrogen from biomass using the bacteria Thermotoga, a deep-ocean thermal vent organism. Analytical procedures for hydrogen were evaluated, a gas chromatography (GC) method was derived for measuring hydrogen yields, and adaptation culturing and protocols for mutagenesis were initiated to better develop strains that can use biomass cellulose. Fly ash derived from cofiring coal with waste paper, sunflower hulls, and wood waste showed a broad spectrum of chemical and physical characteristics, according to American Society for Testing and Materials (ASTM) C618 procedures. Higher-than-normal levels of magnesium, sodium, and potassium oxide were observed for the biomass-coal fly ash, which may impact utilization in cement replacement in concrete under ASTM requirements. Other niche markets for biomass-derived fly ash were explored. Research was conducted to develop/optimize a catalytic partial oxidation-based concept for a simple, low-cost fuel processor (reformer). Work progressed to evaluate the effects of temperature and denaturant on ethanol catalytic partial oxidation. A catalyst was isolated that had a yield of 24 mole percent, with catalyst coking limited to less than 15% over a period of 2 hours. In biodiesel research, conversion of vegetable oils to biodiesel using an alternative alkaline catalyst was demonstrated without the need for subsequent water washing. In work related to biorefinery technologies, a continuous-flow reactor was used to react ethanol with lactic acid prepared from an ammonium lactate concentrate produced in fermentations conducted at the EERC. Good yields of ester were obtained even though the concentration of lactic acid in the feed was low with respect to the amount of water present. Esterification gave lower yields of ester, owing to the lowered lactic acid content of the feed. All lactic acid fermentation from amylose hydrolysate test trials was completed. Management activities included a decision to extend several projects to December 31, 2003, because of delays in receiving biomass feedstocks for testing and acquisition of commercial matching funds. In strategic studies, methods for producing acetate esters for high-value fibers, fuel additives, solvents, and chemical intermediates were discussed with several commercial entities. Commercial industries have an interest in efficient biomass gasification designs but are waiting for economic incentives. Utility, biorefinery, pulp and paper, or other industries are interested in lignin as a potential fuel or feedstock but need more information on properties.

  20. Construction utilization of foamed waste glass.

    PubMed

    Lu, Jiang; Onitsuka, Katsutada

    2004-01-01

    Foamed waste glass (FWG) material is newly developed for the purpose to utilize the waste glassware and other waste glass. FWG has a multi-porous structure that consists of continuous or discontinuous voids. Hence lightweight but considerable stiffness can be achieved. In the present study, the manufacture and engineering properties of FWG are introduced first. Then, the utilizations of FWG are investigated in laboratory tests and field tests. Some case studies on design and construction work are also reported here. Through these studies we know that the discontinuous void material can be utilized as a lightweight fill material, ground improvement material and lightweight aggregate for concrete. On the other hand, the continuous void material can be used as water holding material for the greening of ground slope and rooftop, and as clarification material for water. PMID:15137660

  1. New service opportunities for electric utilities. Final report

    SciTech Connect

    Pickles, D.K.; Destribats, A.F.

    1994-07-01

    This report provides an overview of utility experience with diversification into non-traditional areas closely related to the core business. Specific examples of utility activities are discussed, and emphasis is placed on identifying {open_quotes}lessons learned{close_quotes} and other significant factors which contribute to, or detract from, the ultimate success of the activity. This report identifies numerous factors which contribute to the success of diversification activities in four general categories: (1) financial services, (2) communication services, (3) information services, and (4) products. Each category is developed with respect to: the customer need, the utility opportunity, and preliminary experience and issues. Overarching issues with respect to utility diversification generally are also discussed. Major findings include the identification of meaningful utility opportunity in several areas, along with several structural characteristics which utilities will need to address. These characteristics highlight the fact that how a utility chooses to diversify may be as important as the actual activity chosen.

  2. Diversification performance of electric utilities

    SciTech Connect

    Silverman, M.

    1993-03-01

    Changes in the electric utility business environment has prompted a wave of diversification activity during the 1980s, although there has been little empirical research available to strategic decision makers in the utilities regarding most effective approaches to diversification. This study of 33 diversified electric utilities confirms that utilities pursuing investment in closely related businesses, rather than in financial services or other less related fields, have dramatically greater chances of succeeding. This article examines the extent and types of diversification pursued by investor-owned electric utilities as of 1990, and assesses the relationship between different approaches to diversification and resultant financial performance.

  3. National Utility Rate Database: Preprint

    SciTech Connect

    Ong, S.; McKeel, R.

    2012-08-01

    When modeling solar energy technologies and other distributed energy systems, using high-quality expansive electricity rates is essential. The National Renewable Energy Laboratory (NREL) developed a utility rate platform for entering, storing, updating, and accessing a large collection of utility rates from around the United States. This utility rate platform lives on the Open Energy Information (OpenEI) website, OpenEI.org, allowing the data to be programmatically accessed from a web browser, using an application programming interface (API). The semantic-based utility rate platform currently has record of 1,885 utility rates and covers over 85% of the electricity consumption in the United States.

  4. PFBC Utility Demonstration Project

    SciTech Connect

    Not Available

    1992-11-01

    This report provides a summary of activities by American Electric Power Service Corporation during the first budget period of the PFBC Utility Demonstration Project. In April 1990, AEP signed a Cooperative Agreement with the US Department of Energy to repower the Philip Sporn Plant, Units 3 4 in New Haven, West Virginia, with a 330 KW PFBC plant. The purpose of the program was to demonstrate and verify PFBC in a full-scale commercial plant. The technical and cost baselines of the Cooperative Agreement were based on a preliminary engineering and design and a cost estimate developed by AEP subsequent to AEP's proposal submittal in May 1988, and prior to the signing of the Cooperative Agreement. The Statement of Work in the first budget period of the Cooperative Agreement included a task to develop a preliminary design and cost estimate for erecting a Greenfield plant and to conduct a comparison with the repowering option. The comparative assessment of the options concluded that erecting a Greenfield plant rather than repowering the existing Sporn Plant could be the technically and economically superior alternative. The Greenfield plant would have a capacity of 340 MW. The ten additional MW output is due to the ability to better match the steam cycle to the PFBC system with a new balance of plant design. In addition to this study, the conceptual design of the Sporn Repowering led to several items which warranted optimization studies with the goal to develop a more cost effective design.

  5. Wind power utilization guide

    NASA Astrophysics Data System (ADS)

    Pal, D.

    1981-09-01

    This report presents general information covering site wind potential and characteristics, specific design, system design, and siting requirements for utilization of wind energy conversion systems (WECS) at Navy installations. The objective of this report is also to provide a method for performing economic analysis to plan and justify a WECS in a particular Navy application. The information presented here is sufficient to enable an engineer to prepare a system's design to conduct a feasibility study for a given application of WECS. Most Navy applications of wind power will involve generation of electricity using small wind turbine generators (less than 60 kW size), with or without storage, located at remote Navy sites. Larger (over 100 kW size) WECS will, generally, be integrated with a base grid located on remote overseas or CONUS bases. This report, however, deals only with guidance for applying small WECS at Navy installations. The subject matter is divided into five parts dealing respectively with wind behavior and its determination with wind-driven turbines, power conditioning requirements, siting requirements, and the economics of wind power under different conditions. Three examples are given to demonstrate use of these sections in developing the required feasibility or design information for a given application.

  6. Naltrexone: its clinical utility.

    PubMed

    Ginzburg, H M

    Naltrexone is a long-acting orally-administered opioid antagonist that has demonstrated clinical utility as an adjunct in the outpatient treatment of opioid abuse. Naltrexone can be administered on a daily, twice a week or three times a week regimen, based on the clinical needs of the patient, and the therapeutic goals of the patient and therapist. Because naltrexone is unscheduled under the Controlled Substances Act, any licensed physician can prescribe this drug. This decentralized therapeutic approach for the highly motivated patient permits a ready separation between the patient's drug using friends and his or her current activities. The patients most likely to benefit from naltrexone therapy are employed, married, stabilized on low-dose methadone prior to detoxification, or detoxified from their opioid dependency 7 or more days previously, and are highly motivated to be maintained on a nonopioid chemotherapeutic agent. Naltrexone does not cure dependency. It does assist clinicians in dealing with the medical, psychological and economic problems associated with primary opioid abuse. Naltrexone will work well only when it is part of a larger therapeutic regimen which is tailored to the individual needs of the patient. PMID:3832903

  7. Urea Utilization by Leptospira

    PubMed Central

    Kadis, Solomon; Pugh, William L.

    1974-01-01

    One representative of each of five different pathogenic serotypes of Leptospira as well as one saprophytic strain were capable of growing on medium containing urea in place of an ammonium salt as a nitrogen source. Growth of all of the organisms tested on 1% urea was substantial, but only those that exhibited strong urease activity could grow to any appreciable extent on urea at a concentration as high as 2%. Intact urea-grown cells of the pathogenic serotypes tested (grippotyphosa and icterohaemorrhagiae) exhibited urease activity, with the level of activity of the former being considerably greater. No urease could be detected in cells of the saprophytic strain. When the pathogenic leptospires were sonicated or treated with toluene, the urease activity was greatly enhanced. When cultivated on NH4Cl, neither intact nor disrupted cells of any of the strains tested exhibited any urease activity. Cells of the grippotyphosa and icterohaemorrhagiae strains exhibited diauxic growth when cultivated in the presence of both NH4Cl and urea, whereas only monophasic growth could be detected for the saprophytic test strain. The experimental data on urea utilization and urease activity, when considered in the light of previously reported findings on leptospiral pathology, renal physiology, and the role of urease in other bacterial infections, suggests a significant role for leptospiral urease (in addition to other factors) in determining localization of the organism in the kidney and contributing to the resultant kidney pathology. PMID:4426709

  8. Utility diversification: a regulatory perspective

    SciTech Connect

    York, S.; Malko, J.R.

    1983-01-06

    Many electric, gas, and telephone utility companies have in recent years been exploring the potential of entry into unregulated, nonutility businesses as a means of enhancing overall profitability and returns realized by shareowners. Utility regulators have long viewed expansions by regulated utility companies into such enterprises as fraught with possibilities for injury to utility ratepayers. Because of the recent step-up of diversification activity by utilities, the National Association of Regulatory Utility Commissioners decided in 1981 to conduct a thorough investigation to identify the issues raised by diversification and, where appropriate, make recommendations on how those issues should be resolved. This article reviews actions of the association's Ad Hoc Committee on Utility Diversification and the conclusions reached in its investigation. 9 references, 2 figures.

  9. Utilization Review and Evaluation in a Community Mental Health Center.

    ERIC Educational Resources Information Center

    Riedel, Donald C.; And Others

    The paper presents the conceptual framework and research strategy of the psychiatric utilization review and evaluation (PURE) project at the Connecticut Mental Health Center. Review by structure, by outcome and by process are considered briefly. The Basic Utilization Review Program was developed to provide a more sophisticated and economical

  10. Coal science: An introduction to chemistry, technology and utilization

    SciTech Connect

    Hessley, R.K.; Reasoner, J.W.; Riley, J.T.

    1986-01-01

    This book presents the chemistry and geology of coal. It describes aspects of the petrology and petrographic characterization of coal, the processes involved in coal conversion and utilization, and the testing and analysis of coal. It includes recent statistics regarding production and utilization, as well as recent developments in structure, reactivity and routine analysis.

  11. Utility Computing: Reality and Beyond

    NASA Astrophysics Data System (ADS)

    Ivanov, Ivan I.

    Utility Computing is not a new concept. It involves organizing and providing a wide range of computing-related services as public utilities. Much like water, gas, electricity and telecommunications, the concept of computing as public utility was announced in 1955. Utility Computing remained a concept for near 50 years. Now some models and forms of Utility Computing are emerging such as storage and server virtualization, grid computing, and automated provisioning. Recent trends in Utility Computing as a complex technology involve business procedures that could profoundly transform the nature of companies' IT services, organizational IT strategies and technology infrastructure, and business models. In the ultimate Utility Computing models, organizations will be able to acquire as much IT services as they need, whenever and wherever they need them. Based on networked businesses and new secure online applications, Utility Computing would facilitate "agility-integration" of IT resources and services within and between virtual companies. With the application of Utility Computing there could be concealment of the complexity of IT, reduction of operational expenses, and converting of IT costs to variable `on-demand' services. How far should technology, business and society go to adopt Utility Computing forms, modes and models?

  12. 44. Detail, bridge land span outboard girder brackets carrying utility ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    44. Detail, bridge land span outboard girder brackets carrying utility conduit. Structure rests on granite blocks mounted on granite piers. - Broadway Bridge, Spanning Foundry Street, MBTA Yard, Fort Point Channel, & Lehigh Street, Boston, Suffolk County, MA

  13. Leak detection utilizing analog binaural (VLSI) techniques

    NASA Technical Reports Server (NTRS)

    Hartley, Frank T. (Inventor)

    1995-01-01

    A detection method and system utilizing silicon models of the traveling wave structure of the human cochlea to spatially and temporally locate a specific sound source in the presence of high noise pandemonium. The detection system combines two-dimensional stereausis representations, which are output by at least three VLSI binaural hearing chips, to generate a three-dimensional stereausis representation including both binaural and spectral information which is then used to locate the sound source.

  14. Utility solar water heating workshops

    SciTech Connect

    Barrett, L.B. )

    1992-01-01

    The objective of this project was to explore the problems and opportunities for utility participation with solar water heating as a DSM measure. Expected benefits from the workshops included an increased awareness and interest by utilities in solar water heating as well as greater understanding by federal research and policy officials of utility perspectives for purposes of planning and programming. Ultimately, the project could result in better information transfer, increased implementation of solar water heating programs, greater penetration of solar systems, and more effective research projects. The objective of the workshops was satisfied. Each workshop succeeded in exploring the problems and opportunities for utility participation with solar water heating as a DSM option. The participants provided a range of ideas and suggestions regarding useful next steps for utilities and NREL. According to evaluations, the participants believed the workshops were very valuable, and they returned to their utilities with new information, ideas, and commitment.

  15. Utilities must do more communicating

    SciTech Connect

    Uhler, R.G.

    1981-01-01

    The dramatic changes within the electric-utility industry over the past decade require them to do a greater and more effective job of communicating with their customers. When the revenues and advertising burgets for investor-owned electric utilities over a six-year period are compared with the revenues and ad dollars of other large industries and selected companies, the discrepancy is apparent. The ad costs for just one brand of cigarette are three-fourths of all utility ad spending. The utilities need to use advertising to explain new service programs and rate strategies to the public. 3 figures.

  16. Supplier Selection Using Weighted Utility Additive Method

    NASA Astrophysics Data System (ADS)

    Karande, Prasad; Chakraborty, Shankar

    2015-10-01

    Supplier selection is a multi-criteria decision-making (MCDM) problem which mainly involves evaluating a number of available suppliers according to a set of common criteria for choosing the best one to meet the organizational needs. For any manufacturing or service organization, selecting the right upstream suppliers is a key success factor that will significantly reduce purchasing cost, increase downstream customer satisfaction and improve competitive ability. The past researchers have attempted to solve the supplier selection problem employing different MCDM techniques which involve active participation of the decision makers in the decision-making process. This paper deals with the application of weighted utility additive (WUTA) method for solving supplier selection problems. The WUTA method, an extension of utility additive approach, is based on ordinal regression and consists of building a piece-wise linear additive decision model from a preference structure using linear programming (LP). It adopts preference disaggregation principle and addresses the decision-making activities through operational models which need implicit preferences in the form of a preorder of reference alternatives or a subset of these alternatives present in the process. The preferential preorder provided by the decision maker is used as a restriction of a LP problem, which has its own objective function, minimization of the sum of the errors associated with the ranking of each alternative. Based on a given reference ranking of alternatives, one or more additive utility functions are derived. Using these utility functions, the weighted utilities for individual criterion values are combined into an overall weighted utility for a given alternative. It is observed that WUTA method, having a sound mathematical background, can provide accurate ranking to the candidate suppliers and choose the best one to fulfill the organizational requirements. Two real time examples are illustrated to prove its applicability and appropriateness in solving supplier selection problems.

  17. Xylose utilization in recombinant zymomonas

    DOEpatents

    Caimi, Perry G; McCole, Laura; Tao, Luan; Tomb, Jean-Francois; Viitanen, Paul V

    2014-03-25

    Xylose-utilizing Zymomonas strains studied were found to accumulate ribulose when grown in xylose-containing media. Engineering these strains to increase ribose-5-phosphate isomerase activity led to reduced ribulose accumulation, improved growth, improved xylose utilization, and increased ethanol production.

  18. Acid rain & electric utilities II

    SciTech Connect

    1997-12-31

    This document presents reports which were presented at the Acid Rain and Electric Utilities Conference. Topics include environmental issues and electric utilities; acid rain program overview; global climate change and carbon dioxide; emissions data management; compliance; emissions control; allowance and trading; nitrogen oxides; and assessment. Individual reports have been processed separately for the United States Department of Energy databases.

  19. Utility supply portfolio diversity requirements

    SciTech Connect

    Hanser, Philip; Graves, Frank

    2007-06-15

    In general, diversification for its own sake by utilities is likely to come at significant cost from ignoring or having to overcome engineering reasons for preferring a less diversified portfolio of resources. Integrated utilities, distcos and merchant gencos are likely to pursue widely divergent strategies in this regard. (author)

  20. Quality improvement for utilities management.

    PubMed

    Kuechenmeister, M

    1993-08-01

    Utilities management has become a complex function in today's health care facility. Quality improvement, along with trending occurrences with utility equipment, will help the facilities manager reduce the amount of maintenance service calls due to recurring problems. This document will show examples of trending problems and their resolutions. PMID:10132473

  1. Wooden utility poles stand tall

    SciTech Connect

    Not Available

    1990-05-01

    This article discusses the utilization and preservation of wooden power distribution poles. Methods of inspecting wooden utility poles are described, including:sonic detectors, x rays, tomographic instruments, and pulsed current analyzers. Means of combatting decay, deterioration, and damage are discussed.

  2. (Metal-Organic Framework)-Polyaniline sandwich structure composites as novel hybrid electrode materials for high-performance supercapacitor

    NASA Astrophysics Data System (ADS)

    Guo, ShuaiNan; Zhu, Yong; Yan, YunYun; Min, YuLin; Fan, JinChen; Xu, QunJie; Yun, Hong

    2016-06-01

    Carbonized Zn-(Metal-Organic Framework)MOF- polyaniline composites for high performance of supercapacitor have been developed from zinc acetate, 8-Hydroxyquinoline, and aniline via a simple process. The as-synthesized product has been characterized by X-ray powder diffraction (XRD), Scanning electron microscopy(SEM), Fourier transform infrared spectra (FT-IR), Transmission electron microscope (TEM). The electrochemical properties of carbonized Zn-MOF/polyaniline electrode were investigated by current charge-discharge and cyclic voltammetry. The specific capacitance of MOF/PANI has been approach to be as high as 477 F g-1 at a current density of 1 A g-1.

  3. Calculating cost savings in utilization management.

    PubMed

    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. PMID:24084505

  4. Utilizing a one-dimensional multispecies model to simulate the nutrient reduction and biomass structure in two types of H2-based membrane-aeration biofilm reactors (H2-MBfR): model development and parametric analysis.

    PubMed

    Wang, Zuowei; Xia, Siqing; Xu, Xiaoyin; Wang, Chenhui

    2016-02-01

    In this study, a one-dimensional multispecies model (ODMSM) was utilized to simulate NO3 (-)-N and ClO4 (-) reduction performances in two kinds of H2-based membrane-aeration biofilm reactors (H2-MBfR) within different operating conditions (e.g., NO3 (-)-N/ClO4 (-) loading rates, H2 partial pressure, etc.). Before the simulation process, we conducted the sensitivity analysis of some key parameters which would fluctuate in different environmental conditions, then we used the experimental data to calibrate the more sensitive parameters μ1 and μ2 (maximum specific growth rates of denitrification bacteria and perchlorate reduction bacteria) in two H2-MBfRs, and the diversity of the two key parameters' values in two types of reactors may be resulted from the different carbon source fed in the reactors. From the simulation results of six different operating conditions (four in H2-MBfR 1 and two in H2-MBfR 2), the applicability of the model was approved, and the variation of the removal tendency in different operating conditions could be well simulated. Besides, the rationality of operating parameters (H2 partial pressure, etc.) could be judged especially in condition of high nutrients' loading rates. To a certain degree, the model could provide theoretical guidance to determine the operating parameters on some specific conditions in practical application. PMID:26490919

  5. Precursor SSF utilization: The MODE experiments

    NASA Technical Reports Server (NTRS)

    Crawley, Edward F.

    1992-01-01

    The MIT Space Engineering Research Center is the principal investigator for a series of experiments which utilize the Shuttle Middeck as an engineering dynamics laboratory. The first, which flew on STS-48 in Sep. 1991, was the Middeck O-gravity Dynamics Experiment (MODE). This experiment focused on the dynamics of a scaled deployable truss, similar to that of SSF, and contained liquids in tanks. MODE will be reflown in the fall of 1993. In mid-1994, the Middeck Active Control Experiment (MACE) will examine the issues associated with predicting and verifying the closed loop behavior of a controlled structure in zero gravity. The paper will present experiment background, planning, operational experience, results, and lessons learned from these experiments which are pertinent to SSF utilization.

  6. Utility robotic planning: case studies

    SciTech Connect

    Roman, H.T.; Travato, S.A.; Irving, T.L.; Patnaude, L.G.

    1986-03-01

    Currently, the utility use of robotic devices is most appropriate in nuclear power plants. Four utilities are currently approaching the task of robotic applications. The planning program of each of the utilities is discussed. The following similarities of approach are noted: Plant operating personnel are surveyed for application ideas, and a company task force is established involving these personnel to determine specific application needs and cost-benefit. The state-of-the-art of various robotic devices is evaluated and selected equipment is tested in existing plants. The robotic experience gained from nuclear plant applications is extended to other non-nuclear areas. 2 figures, 1 table.

  7. Healthcare Utilization Monitoring System in Korea

    PubMed Central

    Shin, Hyun Chul; Lee, Youn Tae; Jo, Emmanuel C.

    2015-01-01

    Objectives It is important to monitor the healthcare utilization of patients at the national level to make evidence-based policy decisions and manage the nation's healthcare sector. The Health Insurance Review & Assessment Service (HIRA) has run a Healthcare Utilization Monitoring System (HUMS) since 2008. The objective of this paper is to introduce HIRA's HUMS. Methods This study described the HUMS's system structure, capacity, functionalities, and output formats run by HIRA in the Republic of Korea. Regarding output formats, this study extracted diabetes related health insurance claims through the HUMS from August 1, 2014 to May 31, 2015. Results The HUMS has kept records of health insurance claim data for 4 years. It has a 14-terabyte hardware capacity and employs several easy-to-use programs for maintenance of the system, such as MSTR, SAS, etc. Regarding functionalities, users should input diseases codes, target periods, facility types, and types of attributes, such as the number of healthcare utilizations or healthcare costs. It also has a functionality to predict healthcare utilization and costs. When this study extracted diabetes related data, it was found that the trend of healthcare costs for the treatment of diabetes and the number of patients with diabetes were increasing. Conclusions HIRA's HUMS works well to monitor healthcare utilization of patients at the national level. The HUMS has a high-capacity hardware infrastructure and several operational programs that allows easy access to summaries as well as details to identify contributing factors for abnormality, but it has a limitation in that there is often a time lag between the provision of healthcare to patients and the filing of health claims. PMID:26279955

  8. Energy Conservation Through Effective Utilization

    ERIC Educational Resources Information Center

    Berg, Charles A.

    1973-01-01

    Discusses various ways in which the demand for energy could be decreased, focusing not so much on discouraging demand by increasing prices, as on reducing energy consumption by improving efficiency of energy utilization in buildings and in industry. (JR)

  9. Ion-thruster propellant utilization

    NASA Technical Reports Server (NTRS)

    Kaufman, H. R.

    1971-01-01

    The evaluation and understanding of maximum propellant utilization, with mercury used as the propellant are presented. The primary-electron region in the ion chamber of a bombardment thruster is analyzed at maximum utilization. The results of this analysis, as well as experimental data from a range of ion-chamber configurations, show a nearly constant loss rate for unionized propellant at maximum utilization over a wide range of total propellant flow rate. The discharge loss level of 1000 eV/ion was used as a definition of maximum utilization, but the exact level of this definition has no effect on the qualitative results and little effect on the quantitative results. There are obvious design applications for the results of this investigation, but the results are particularly significant whenever efficient throttled operation is required.

  10. Deregulation and diversification of utilities

    SciTech Connect

    Crew, M. )

    1989-01-01

    This book deals with some of the major current issues of diversification and deregulation facing public utilities and regulators. The current movement for competition and deregulation in telecommunications is discussed. The importance of deregulation and diversification is addressed.

  11. Efficient utilization of washery tailings

    SciTech Connect

    Lyadov, V.V.; Litmanovich, I.M.

    1982-05-01

    The possibility of building a plant in Makeevka for the utilization of jigging machine tailings from the Yasinovka and Makeevka Coke Works washeries for production of lightweight concrete fillers and wall materials is being investigated.

  12. Moose (Alces alces) reacts to high summer temperatures by utilizing thermal shelters in boreal forests - an analysis based on airborne laser scanning of the canopy structure at moose locations.

    PubMed

    Melin, Markus; Matala, Juho; Mehtätalo, Lauri; Tiilikainen, Raisa; Tikkanen, Olli-Pekka; Maltamo, Matti; Pusenius, Jyrki; Packalen, Petteri

    2014-04-01

    The adaptation of different species to warming temperatures has been increasingly studied. Moose (Alces alces) is the largest of the ungulate species occupying the northern latitudes across the globe, and in Finland it is the most important game species. It is very well adapted to severe cold temperatures, but has a relatively low tolerance to warm temperatures. Previous studies have documented changes in habitat use by moose due to high temperatures. In many of these studies, the used areas have been classified according to how much thermal cover they were assumed to offer based on satellite/aerial imagery data. Here, we identified the vegetation structure in the areas used by moose under different thermal conditions. For this purpose, we used airborne laser scanning (ALS) data extracted from the locations of GPS-collared moose. This provided us with detailed information about the relationships between moose and the structure of forests it uses in different thermal conditions and we were therefore able to determine and differentiate between the canopy structures at locations occupied by moose during different thermal conditions. We also discovered a threshold beyond which moose behaviour began to change significantly: as day temperatures began to reach 20 °C and higher, the search for areas with higher and denser canopies during daytime became evident. The difference was clear when compared to habitat use at lower temperatures, and was so strong that it provides supporting evidence to previous studies, suggesting that moose are able to modify their behaviour to cope with high temperatures, but also that the species is likely to be affected by warming climate. PMID:24115403

  13. High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.

    PubMed

    Gagnon, Susannah M L; Meloncelli, Peter J; Zheng, Ruixiang B; Haji-Ghassemi, Omid; Johal, Asha R; Borisova, Svetlana N; Lowary, Todd L; Evans, Stephen V

    2015-11-01

    Homologous glycosyltransferases α-(1→3)-N-acetylgalactosaminyltransferase (GTA) and α-(1→3)-galactosyltransferase (GTB) catalyze the final step in ABO(H) blood group A and B antigen synthesis through sugar transfer from activated donor to the H antigen acceptor. These enzymes have a GT-A fold type with characteristic mobile polypeptide loops that cover the active site upon substrate binding and, despite intense investigation, many aspects of substrate specificity and catalysis remain unclear. The structures of GTA, GTB, and their chimeras have been determined to between 1.55 and 1.39 Å resolution in complex with natural donors UDP-Gal, UDP-Glc and, in an attempt to overcome one of the common problems associated with three-dimensional studies, the non-hydrolyzable donor analog UDP-phosphono-galactose (UDP-C-Gal). Whereas the uracil moieties of the donors are observed to maintain a constant location, the sugar moieties lie in four distinct conformations, varying from extended to the "tucked under" conformation associated with catalysis, each stabilized by different hydrogen bonding partners with the enzyme. Further, several structures show clear evidence that the donor sugar is disordered over two of the observed conformations and so provide evidence for stepwise insertion into the active site. Although the natural donors can both assume the tucked under conformation in complex with enzyme, UDP-C-Gal cannot. Whereas UDP-C-Gal was designed to be "isosteric" with natural donor, the small differences in structure imposed by changing the epimeric oxygen atom to carbon appear to render the enzyme incapable of binding the analog in the active conformation and so preclude its use as a substrate mimic in GTA and GTB. PMID:26374898

  14. Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures

    PubMed Central

    Danielson, Matthew L.; Desai, Prashant V.; Mohutsky, Michael A.; Wrighton, Steven A.; Lill, Markus A.

    2011-01-01

    Cytochrome P450 enzymes are responsible for metabolizing many endogenous and xenobiotic molecules encountered by the human body. It has been estimated that 75% of all drugs are metabolized by cytochrome P450 enzymes. Thus, predicting a compound s potential sites of metabolism (SOM) is highly advantageous early in the drug development process. We have combined molecular dynamics, AutoDock Vina docking, the neighboring atom type (NAT) reactivity model, and a solvent-accessible surface-area term to form a reactivity-accessibility model capable of predicting SOM for cytochrome P450 2C9 substrates. To investigate the importance of protein flexibility during the ligand binding process, the results of SOM prediction using a static protein structure for docking were compared to SOM prediction using multiple protein structures in ensemble docking. The results reported here indicate that ensemble docking increases the number of ligands that can be docked in a bioactive conformation (ensemble: 96%, static: 85%) but only leads to a slight improvement (49% vs. 44%) in predicting an experimentally known SOM in the top-1 position for a ligand library of 75 CYP2C9 substrates. Using ensemble docking, the reactivity-accessibility model accurately predicts SOM in the top-1 ranked position for 49% of the ligand library and considering the top-3 predicted sites increases the prediction success rate to approximately 70% of the ligand library. Further classifying the substrate library according to Km values leads to an improvement in SOM prediction for substrates with low Km values (57% at top-1). While the current predictive power of the reactivity-accessibility model still leaves significant room for improvement, the results illustrate the usefulness of this method to identify key protein-ligand interactions and guide structural modifications of the ligand to increase its metabolic stability. PMID:21703735

  15. Regulatory reform and public utilities

    SciTech Connect

    Crew, M.A.

    1982-01-01

    This book results from two seminars regarding the subject title that were held at Rutgers the State University, New Brunswick, NJ on October 30, 1981 and March 26, 1982. The seminars received financial support from leading New Jersey utilities. The introductory chapter (by the editor) and the other nine chapters are all written within the context of the pressures facing regulated utilities and their regulators. A separate abstract was prepared for each chapter.

  16. Photovoltaics: New opportunities for utilities

    SciTech Connect

    Not Available

    1991-07-01

    This publication presents information on photovoltaics. The following topics are discussed: Residential Photovoltaics: The New England Experience Builds Confidence in PV; Austin's 300-kW Photovoltaic Power Station: Evaluating the Breakeven Costs; Residential Photovoltaics: The Lessons Learned; Photovoltaics for Electric Utility Use; Least-Cost Planning: The Environmental Link; Photovoltaics in the Distribution System; Photovoltaic Systems for the Rural Consumer; The Issues of Utility-Intertied Photovoltaics; and Photovoltaics for Large-Scale Use: Costs Ready to Drop Again.

  17. Cost Avoidance vs. Utility Bill Accounting - Explaining theDiscrepancy Between Guaranteed Savings in ESPC Projects and UtilityBills

    SciTech Connect

    Kumar, S.; Sartor, D.

    2005-08-15

    Federal agencies often ask if Energy Savings PerformanceContracts (ESPCs) result in the energy and cost savings projected duringthe project development phase. After investing in ESPCs, federal agenciesexpect a reduction in the total energy use and energy cost at the agencylevel. Such questions about the program are common when implementing anESPC project. But is this a fair or accurate perception? Moreimportantly, should the federal agencies evaluate the success or failureof ESPCs by comparing the utility costs before and after projectimplementation?In fact, ESPC contracts employ measurement andverification (M&V) protocols to measure and ensure kilowatt-hour orBTU savings at the project level. In most cases, the translation toenergy cost savings is not based on actual utility rate structure, but acontracted utility rate that takes the existing utility rate at the timethe contract is signed with a clause to escalate the utility rate by afixed percentage for the duration of the contract. Reporting mechanisms,which advertise these savings in dollars, may imply an impact to budgetsat a much higher level depending on actual utility rate structure. FEMPhas prepared the following analysis to explain why the utility billreduction may not materialize, demonstrate its larger implication onagency s energy reduction goals, and advocate setting the rightexpectations at the outset to preempt the often asked question why I amnot seeing the savings in my utility bill?

  18. Identifying and managing inappropriate hospital utilization: a policy synthesis.

    PubMed Central

    Payne, S M

    1987-01-01

    Utilization review, the assessment of the appropriateness and efficiency of hospital care through review of the medical record, and utilization management, deliberate action by payers or hospital administrators to influence providers of hospital services to increase the efficiency and effectiveness with which services are provided, are valuable but relatively unfamiliar strategies for containing hospital costs. The purpose of this synthesis is to increase awareness of the scope of and potential for these approaches among health services managers and administrators, third-party payers, policy analysts, and health services researchers. The synthesis will assist the reader to trace the conceptual context and the historical development of utilization review from unstructured methods using individual physicians' professional judgment to structured methods using explicit criteria; to establish the context of utilization review and clarify its uses; to understand the concepts and tools used in assessing the efficiency of hospital use; and to select, design, and evaluate utilization review and utilization management programs. The extent of inappropriate (medical unnecessary) hospital utilization and the factors associated with it are described. Implications for managers, providers, and third-party payers in targeting utilization review and in designing and evaluating utilization management programs are discussed. PMID:3121538

  19. Omaha utility tests trenchless units

    SciTech Connect

    Not Available

    1992-04-01

    Like all gas utilities, Metropolitan Utility District of Omaha, Neb., is always looking for better, more efficient ways of installing underground facilities. The utility's growth plan was having an effect on the type of work performed by the construction division. Gas main installations in fully developed, all-electric subdivisions were becoming more common. This paper reports that this type of work involved extensive restoration when performed by conventional methods, due to the presence of established lawns, landscaping, driveways and other underground utilities, that added significantly to the overall cost of the project. Disruption of the lawns was an inconvenience and nuisance to the utility's customers, which the district wanted to minimize in the interest of good customer and public relations. As a result, the utility scheduled field demonstrations by various boring equipment makers. After several less-than-successful demonstrations by various manufacturers, the MUD contacted Midwest Pow-R Mole Co. Inc., for a test of the new Pow-R Mole directional boring system. The system was developed by Pow-R Devices Inc., Clarence Center, N.Y.

  20. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    PubMed Central

    2016-01-01

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins. PMID:25781223

  1. Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.

    PubMed

    Brodney, Michael A; Beck, Elizabeth M; Butler, Christopher R; Barreiro, Gabriela; Johnson, Eric F; Riddell, David; Parris, Kevin; Nolan, Charles E; Fan, Ying; Atchison, Kevin; Gonzales, Cathleen; Robshaw, Ashley E; Doran, Shawn D; Bundesmann, Mark W; Buzon, Leanne; Dutra, Jason; Henegar, Kevin; LaChapelle, Erik; Hou, Xinjun; Rogers, Bruce N; Pandit, Jayvardhan; Lira, Ricardo; Martinez-Alsina, Luis; Mikochik, Peter; Murray, John C; Ogilvie, Kevin; Price, Loren; Sakya, Subas M; Yu, Aijia; Zhang, Yong; O'Neill, Brian T

    2015-04-01

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer's disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug-drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins. PMID:25781223

  2. Utility of an alternative bicycle commute route of lower proximity to motorised traffic in decreasing exposure to ultra-fine particles, respiratory symptoms and airway inflammation – a structured exposure experiment

    PubMed Central

    2013-01-01

    Background Bicycle commuting in an urban environment of high air pollution is known to be a potential health risk, especially for susceptible individuals. While risk management strategies aimed to reduce exposure to motorised traffic emissions have been suggested, only limited studies have assessed the utility of such strategies in real-world circumstances. Objectives The potential to lower exposure to ultrafine particles (UFP; < 0.1 μm) during bicycle commuting by reducing proximity to motorised traffic was investigated with real-time air pollution and intermittent acute inflammatory measurements in healthy individuals using their typical higher proximity, and an alternative lower proximity, bicycle commute route. Methods Thirty-five healthy adults (mean ± SD: age = 39 ± 11 yr; 29% female) completed two return trips, one each in the condition of their typical route (HIGH) and a pre-determined alternative route of lower proximity to motorised traffic (LOW); proximity being determined by the proportion of on-road cycle paths. Particle number concentration (PNC) and diameter (PD) were monitored in-commute in real-time. Acute inflammatory indices of respiratory symptoms (as a scalar of frequency from very low to very high / 1 to 5), lung function and spontaneous sputum (for inflammatory cell analyses) were collected immediately pre-commute, and immediately and three hours post-commute. Results In the condition of LOW, compared to in the condition of HIGH, there was a significant decrease in mean PNC (1.91 x e4 ± 0.93 × e4 ppcc vs. 2.95 × e4 ± 1.50 × e4 ppcc; p ≤ 0.001), and the mean frequency of in-commute offensive odour detection (2.1 vs. 2.8; p = 0.019), dust and soot observation (1.7 vs. 2.3; p = 0.038) and nasopharyngeal irritation (1.5 vs. 1.9; p = 0.007). There were no significant differences between LOW and HIGH in the commute distance and duration (12.8 ± 7.1 vs. 12.0 ± 6.9 km and 44 ± 17 vs. 42 ± 17 min, respectively), or other indices of acute airway inflammation. Conclusions Exposure to PNC and offensive odour, and nasopharyngeal irritation, can be significantly lowered when utilising a route of lower proximity to motorised traffic whilst bicycle commuting, without significantly affecting commute distance or duration. This may bring health benefits for both healthy and susceptible individuals. PMID:23566176

  3. Utilization of thermal effects for silicon photonics

    NASA Astrophysics Data System (ADS)

    Dai, Daoxin; Yu, Longhai; Chen, Sitao; Wu, Hao

    2015-08-01

    Thermal effect plays a key role and has been utilized for various photonic devices. For silicon photonics, the thermal effect is usually important because of the large thermo-optical coefficient of silicon material. This paper gives a review for the utilization of thermal effects for silicon photonics. First, the thermal effect is very beneficial to realize energy-efficient silicon photonic devices with tunability/switchability (including switches, variable optical attenuators, etc). Traditionally metal micro-heater sitting on a buried silicon-on-insulator (SOI) nanowire is used to introduce a phase shift for thermal tunability by injecting a electrical current. An effective way to improve the energy-efficiency of thermal tuning is reducing the volume of the optical waveguide as well as the micro-heater. Our recent work on silicon nanophotonic waveguides with novel nano-heaters based on metal wires as well as graphene ribbons will be summarized. Second, the thermal resistance effect of the metal strip on a hybrid plasmonic waveguide structure can be utilized to realize an ultra-small on-chip photodetector available for an ultra-broad band of wavelength, which will also be discussed.

  4. The effect of regulation on the professionally managed utility

    SciTech Connect

    Czamanski, O.Z.

    1980-12-01

    Mixed empirical evidence concerning the A-J effect suggests that regulatory constraints affect utilities differently, depending upon their organizational structure. An important characteristic of firms is the concern for profits on the part of managements. This concern is related to the extent that management owns the firms' residual claims. In the case of many utilities, professional management means divorce of ownership from the firm's decision-making.

  5. Energy Efficiency and Electric Utilities

    SciTech Connect

    2007-11-15

    The report is an overview of electric energy efficiency programs. It takes a concise look at what states are doing to encourage energy efficiency and how it impacts electric utilities. Energy efficiency programs began to be offered by utilities as a response to the energy crises of the 1970s. These regulatory-driven programs peaked in the early-1990s and then tapered off as deregulation took hold. Today, rising electricity prices, environmental concerns, and national security issues have renewed interest in increasing energy efficiency as an alternative to additional supply. In response, new methods for administering, managing, and delivering energy efficiency programs are being implemented. Topics covered in the report include: Analysis of the benefits of energy efficiency and key methods for achieving energy efficiency; evaluation of the business drivers spurring increased energy efficiency; Discussion of the major barriers to expanding energy efficiency programs; evaluation of the economic impacts of energy efficiency; discussion of the history of electric utility energy efficiency efforts; analysis of the impact of energy efficiency on utility profits and methods for protecting profitability; Discussion of non-utility management of energy efficiency programs; evaluation of major methods to spur energy efficiency - systems benefit charges, resource planning, and resource standards; and, analysis of the alternatives for encouraging customer participation in energy efficiency programs.

  6. Avian utilization of subsidence wetlands

    SciTech Connect

    Nawrot, J.R.; Conley, P.S.; Smout, C.L.

    1995-09-01

    Diverse and productive wetlands have resulted from coal mining in the midwest. The trend from surface to underground mining has increased the potential for subsidence. Planned subsidence of longwall mining areas provides increased opportunities for wetland habitat establishment. Planned subsidence over a 180 meter (590 foot) deep longwall mine in southern Illinois during 1984 to 1986 produced three subsidence wetlands totaling 15 hectares (38 acres). The resulting palustrine emergent wetlands enhanced habitat diversity within the surrounding palustrine forested unsubsided area. Habitat assessments and evaluations of avian utilization of the subsidence wetlands were conducted during February 1990 through October 1991. Avian utilization was greatest within the subsided wetlands. Fifty-three bird species representing seven foraging guilds utilized the subsidence wetlands. Wading/fishing, dabbling waterfowl, and insectivorous avian guilds dominated the subsidence wetlands. The subsidence wetlands represented ideal habitat for wood ducks and great blue herons which utilized snags adjacent to and within the wetlands for nesting (19 great blue heron nests produced 25 young). Dense cover and a rich supply of macroinvertebrates provide excellent brood habitat for wood ducks, while herpetofauna and ichthyofauna provided abundant forage in shallow water zones for great blue herons and other wetland wading birds. The diversity of game and non-game avifauna utilizing the subsidence areas demonstrated the unique value of these wetlands. Preplanned subsidence wetlands can help mitigate loss of wetland habitats in the midwest.

  7. Renewable energy and utility regulation

    SciTech Connect

    Not Available

    1991-04-10

    This report summarizes the results of a joint project on renewable energy of the National Association of Regulatory Utility Commissioners (NARUC) and the US DOE. NARUC`S Task Force on Renewable Energy conducted a review of the current state of renewable energy technologies to evaluate their potential and extract key policy lessons from experience already gained in deployment of these technologies in numerous states. The main focus of this effort has been to clarify how utility regulators affect the development of renewable energy resources. The goal of the project was twofold: (1) identify the factors that have led to success or failure or renewable energy technologies in various energy markets, and (2) to develop an agenda on renewable energy and utility regulation for NARUC and the DOE. This report consists of three sections: renewable energy contributions, costs and potential; factors affecting development of renewable energy resources; and a renewable energy agenda for NARUC.

  8. Renewable energy and utility regulation

    SciTech Connect

    Not Available

    1991-04-10

    This report summarizes the results of a joint project on renewable energy of the National Association of Regulatory Utility Commissioners (NARUC) and the US DOE. NARUC'S Task Force on Renewable Energy conducted a review of the current state of renewable energy technologies to evaluate their potential and extract key policy lessons from experience already gained in deployment of these technologies in numerous states. The main focus of this effort has been to clarify how utility regulators affect the development of renewable energy resources. The goal of the project was twofold: (1) identify the factors that have led to success or failure or renewable energy technologies in various energy markets, and (2) to develop an agenda on renewable energy and utility regulation for NARUC and the DOE. This report consists of three sections: renewable energy contributions, costs and potential; factors affecting development of renewable energy resources; and a renewable energy agenda for NARUC.

  9. Utilization of plasmas for graphene synthesis

    NASA Astrophysics Data System (ADS)

    Keidar, Michael; Shashurin, Alexey

    2014-10-01

    Graphene is a one-atom-thick planar sheet of carbon atoms that are densely packed in a honeycomb crystal lattice. Graphene has tremendous range of potential applications ranging from high-speed transistors to electrochemical energy storage devices and biochemical sensors. Methods of graphene synthesis include mechanical exfoliation, epitaxial growth on SiC, CVD and colloidal suspensions. In this work the utilization of plasmas in synthesis process is considered. Types of carbonaceous structures produced by the anodic arc and regions of their synthesis were studied. Ultimate role of substrate temperature and transformations occurring with various carbonaceous structures generated in plasma discharge were considered. Synthesis of well-adhered graphene films on the various substrate materials with controllable flake thickness down to about 2 layers was demonstrated. Optimal synthesis conditions were analyzed. This work was supported by National Science Foundation (NSF Grant No. CBET-1249213).

  10. Utilization of plasmas for graphene synthesis

    NASA Astrophysics Data System (ADS)

    Shashurin, Alexey; Keidar, Michael

    2013-10-01

    Graphene is a one-atom-thick planar sheet of carbon atoms that are densely packed in a honeycomb crystal lattice. Grapheen has tremendous range of potential applications ranging from high-speed transistors to electrochemical energy storage devices and biochemical sensors. Methods of graphene synthesis include mechanical exfoliation, epitaxial growth on SiC, CVD and colloidal suspensions. In this work the utilization of plasmas in synthesis process is considered. Types of carbonaceous structures produced by the anodic arc and regions of their synthesis were studied. Ultimate role of substrate temperature and transformations occurring with various carbonaceous structures generated in plasma discharge were considered. Formation of graphene film on copper substrate was detected at temperatures around the copper melting point. The film was consisted of several layers graphene flakes having typical sizes of about 200 nm. Time required for crystallization of graphene on externally heated substrates was determined. This work was supported by National Science Foundation (NSF Grant No. CBET-1249213).

  11. Competition and utility financial risks

    SciTech Connect

    Studness, C.M.

    1993-07-01

    While competition for electric utilities has grown steadily for over a decade, the inroads have been small. Utilities have lost load by being forced to buy power from cogenerators. They have foregone some of their normal growth by choosing to buy power from independent power producers instead of building generating facilities themselves. They have absorbed earnings erosion by giving discounts to large industrial customers to avoid having them move production outside their service areas. Yet although competition in these areas can be expected to intensity, the real financial risk for utilities lies on other fronts, principally direct price competition. The type of competition experienced thus far will constrain utility financial progress, but utilities will no doubt find ways to mitigate its impact, an example being investment in demand-side management (DSM) programs. Direct price competition, on the other hand, offers few if any avenues of escape, and it is only a matter of time before the barriers that prevent it are removed. One of the largest is the prohibition of retail wheeling, which is the principal source of price protection for utilities. Significantly, over the course of the last year the prohibition of retail wheeling has been transformed from an untouchable issue into the central issue in the struggle over competition. Price competition, when it develops, will be driven by the cost of producing electric power with new generating facilities and whatever excess generating capacity exists in the industry. How important price competition becomes will depend on what customers want. If low-cost power turns out to be a top priority, price competition will be a very important part of the competitive picture. The experience of industries that have been deregulated, such as the airlines, suggests that low prices will have a high priority.

  12. 25 CFR 175.24 - Utility responsibilities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Utility responsibilities. 175.24 Section 175.24 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR LAND AND WATER INDIAN ELECTRIC POWER UTILITIES Utility Service Administration § 175.24 Utility responsibilities. A utility subject to this part shall:...

  13. Cpp Utility - Version 1.0

    Energy Science and Technology Software Center (ESTSC)

    2014-09-08

    A collection of general Umbra modules that are reused by other Umbra libraries. These capabilities include line segments, file utilities, color utilities, string utilities (for std::string), list utilities (for std ::vector ), bounding box intersections, range limiters, simple filters, cubic roots solvers and a few other utilities.

  14. Cpp Utility - Version 1.0

    SciTech Connect

    III, FredOppel; Rigdon, J. Brian

    2014-09-08

    A collection of general Umbra modules that are reused by other Umbra libraries. These capabilities include line segments, file utilities, color utilities, string utilities (for std::string), list utilities (for std ::vector ), bounding box intersections, range limiters, simple filters, cubic roots solvers and a few other utilities.

  15. Utilities` business plans include outsourcing

    SciTech Connect

    1995-11-01

    A panel discussion on the benefits and drawbacks of outsourcing information system functions and telecommunications operations drew much interest at the UTC (the Telecommunications Association) Annual Conference and Exhibition, held here in late summer. A panel, consisting of executives from utilities that have outsourced these services discussed this controversial business management trend. {open_quotes}Outsourcing decisions should be a balance between corporate functional requirements and cost reduction,{close_quotes} said panelist Richard Kubica, Northeast Utilities Service Co.`s manager of network planning and engineering.

  16. Space platform utilities distribution study

    NASA Technical Reports Server (NTRS)

    Lefever, A. E.

    1980-01-01

    Generic concepts for the installation of power data and thermal fluid distribution lines on large space platforms were discussed. Connections with central utility subsystem modules and pallet interfaces were also considered. Three system concept study platforms were used as basepoints for the detail development. The tradeoff of high voltage low voltage power distribution and the impact of fiber optics as a data distribution mechanism were analyzed. Thermal expansion and temperature control of utility lines and ducts were considered. Technology developments required for implementation of the generic distribution concepts were identified.

  17. Developing technologies for coal utilization

    NASA Astrophysics Data System (ADS)

    Penner, S. S.

    The utilization of coal slurries in place of oil in utility and industrial boilers; the development of improved atmospheric and pressurized fluidized bed combustors; the designs of integrated combined cycle systems; and coal gasification and liquefaction to augment supplies of natural gas and liquid fuels, respectively are discussed. The worldwide coal resource base is so large that the necessity to manufacture liquid fuels from coals must be realized. An initiative proposed by the International Energy Agency defines several specific direct coal liquefaction designs and sites where direct coal liquefaction may be implemented.

  18. Reduced rates for utility employees

    SciTech Connect

    Nolan, P.V.

    1983-05-12

    The controversy over giving reduced rates (or a rate discount) to utility employees centers on whether it is legal and whether the associated costs are part of the utility's cost-of-service allowance. The lawfulness issue involves four major factors: rate discrimination, wage negotiations, managerial discretion, and resonableness of compensation. Three court decisions illustrate the complexity of rate analysis and a tendency to emphasize emotional factors of fairness. Maine's supreme judicial court decision emphasizing managerial discretion may add balance to future commission decisions. (DCK)

  19. Analytical Utility of Campylobacter Methodologies

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The National Advisory Committee on Microbiological Criteria for Foods (NACMCF, or the Committee) was asked to address the analytical utility of Campylobacter methodologies in preparation for an upcoming United States Food Safety and Inspection Service (FSIS) baseline study to enumerate Campylobacter...

  20. Floppy disk utility user's guide

    NASA Technical Reports Server (NTRS)

    Akers, J. W.

    1980-01-01

    A floppy disk utility program is described which transfers programs between files on a hard disk and floppy disk. It also copies the data on one floppy disk onto another floppy disk and compares the data. The program operates on the Data General NOVA-4X under the Real Time Disk Operating System. Sample operations are given.

  1. Floppy disk utility user's guide

    NASA Technical Reports Server (NTRS)

    Akers, J. W.

    1981-01-01

    The Floppy Disk Utility Program transfers programs between files on the hard disk and floppy disk. It also copies the data on one floppy disk onto another floppy disk and compares the data. The program operates on the Data General NOVA-4X under the Real Time Disk Operating System (RDOS).

  2. Wind energy utilization: A bibliography

    NASA Technical Reports Server (NTRS)

    1975-01-01

    Bibliography cites documents published to and including 1974 with abstracts and references, and is indexed by topic, author, organization, title, and keywords. Topics include: Wind Energy Potential and Economic Feasibility, Utilization, Wind Power Plants and Generators, Wind Machines, Wind Data and Properties, Energy Storage, and related topics.

  3. Vibration analysis utilizing Mossbauer effect

    NASA Technical Reports Server (NTRS)

    Roughton, N. A.

    1967-01-01

    Measuring instrument analyzes mechanical vibrations in transducers at amplitudes in the range of a few to 100 angstroms. This instrument utilizes the Mossbauer effect, the phenomenon of the recoil-free emission and resonant absorption of nuclear gamma rays in solids.

  4. Module Utilization Committee. Final report

    SciTech Connect

    1984-03-01

    Photovoltaic collector modules were declared surplus to the needs of the US Department of Energy. The Module Utilization Committee was formed to make appropriate disposition of the surplus modules. The final report of that committee accounts for that disposition. The membership and activities of the committee are set forth and the results of its activities are reported.

  5. Does regulation tilt toward utilities?

    SciTech Connect

    Lazare, P.

    1999-11-01

    Conventional wisdom says that electric utility regulation favors neither utilities nor consumers, but, instead, advances the interests of society. This optimistic view of the process is challenged by more jaded observers who contend that regulation tilts toward certain powerful market players, specifically the firms being regulated. While the debate has ebbed and flowed over the years, recent industry event offer a fresh perspective on this issue. Those events concern the emergence of stranded costs as a significant problem for the electricity market. These stranded costs are evidence that the regulatory process does, indeed, tilt toward the regulated firm. The existence of these costs demonstrates that regulators have allowed utilities to recover more than their fair share of costs from ratepayers. Furthermore, the recovery of stranded costs from ratepayers shows that the regulatory process protects utility interests. This concept of a tilt toward the regulated firm is not new, having been presented by a number of economists over the years. Perhaps the most noted proponent of this view is George Stigler, who states, Regulation may be actively sought or it may be thrust upon the regulated industry. A central thesis of this paper is that, as a rule, regulation is acquired by industry and is designed and operated primarily for its benefit. These perspective provides the starting point for the analysis to follow, which will examine the relevance of Stigler's argument to an electricity industry that is grappling with the problem of stranded costs.

  6. Administrative Utility Analysis: Study Summary.

    ERIC Educational Resources Information Center

    Peat, Marwick, Mitchell and Co., San Juan, Puerto Rico.

    This document summarizes the recommendations made as a result of a study on administrative utility analysis and vocational education programs for Puerto Rico. The major recommendation was that the Area of Vocational and Technical Education (AVTE) in the Puerto Rico Department of Education be restructured at the central organizational level, for…

  7. Road map for utility diversification

    SciTech Connect

    Lewis, J.D.; Ross, W.W.

    1982-12-23

    Under a growing impetus to shift their business emphasis, utility companies can find the road to diversification rife with problems and uncertainties. Studies of possible new business opportunities come relatively easy, but success in embarking upon them is anything but easy. This article provides useful insights into the process, and points out some important prerequisites for successful diversification efforts. 17 references, 2 figures.

  8. TWRS LDUA utilization study report

    SciTech Connect

    Rieck, R.H.

    1994-09-01

    Tank Waste Remediation Systems functional requirements were reviewed. The Light Duty Utility Arm capabilities were considered as a means to support completion of these functional requirements. The recommendation is made to continue to develop the LDUA, integrating TWRS functional needs into the design to better support completion of TWRS mission needs.

  9. LLNL E-Mail Utilities

    SciTech Connect

    Dellamaggiore, N. J.; Hamel, B. B.

    2005-10-31

    The LLNL E-mail Utilities software library is a Java API that simplifies the creation and delivery of email in Java business applications. It consists of a database-driven template engine, various strategies for composing, queuing, dispatching email and a Java Swing GUI for creating and editing email templates.

  10. Zymomonas with improved xylose utilization

    DOEpatents

    Viitanen, Paul V.; Tao, Luan; Zhang, Yuying; Caimi, Perry G.; McCutchen, Carol M.; McCole, Laura; Zhang, Min; Chou, Yat-Chen; Franden, Mary Ann

    2011-08-16

    Strains of Zymomonas were engineered by introducing a chimeric xylose isomerase gene that contains a mutant promoter of the Z. mobilis glyceraldehyde-3-phosphate dehydrogenase gene. The promoter directs increased expression of xylose isomerase, and when the strain is in addition engineered for expression of xylulokinase, transaldolase and transketolase, improved utilization of xylose is obtained.

  11. Solar energy storage and utilization

    NASA Technical Reports Server (NTRS)

    Yuan, S. W.; Bloom, A. M.

    1976-01-01

    A method of storing solar energy in the ground for heating residential buildings is described. The method would utilize heat exchanger pipes with a circulating fluid to transfer the energy beneath the surface as well as to extract the stored energy.

  12. Space Station Freedom Utilization Conference

    NASA Technical Reports Server (NTRS)

    1992-01-01

    The topics addressed in Space Station Freedom Utilization Conference are: (1) space station freedom overview and research capabilities; (2) space station freedom research plans and opportunities; (3) life sciences research on space station freedom; (4) technology research on space station freedom; (5) microgravity research and biotechnology on space station freedom; and (6) closing plenary.

  13. Limits to Wind Power Utilization.

    ERIC Educational Resources Information Center

    Gustavson, M. R.

    1979-01-01

    Discusses noneconomic factors limiting the total power that can be extracted from the wind. These factors are examined with a macroscopic approach. Some general conclusions are also reached regarding the sites that would have to be utilized and the usable wind energy potentials. (HM)

  14. Utility Energy Services Contracts: Enabling Documents

    SciTech Connect

    2009-05-01

    Utility Energy Services Contracts: Enabling Documents provides materials that clarify the authority for Federal agencies to enter into utility energy services contracts (UESCs), as well as sample documents and resources to ease utility partnership contracting.

  15. Anticonvulsant effects of structurally diverse GABA(B) positive allosteric modulators in the DBA/2J audiogenic seizure test: Comparison to baclofen and utility as a pharmacodynamic screening model.

    PubMed

    Brown, Jordan W; Moeller, Achim; Schmidt, Martin; Turner, Sean C; Nimmrich, Volker; Ma, Junli; Rueter, Lynne E; van der Kam, Elizabeth; Zhang, Min

    2016-02-01

    The GABA(B) receptor has been indicated as a promising target for multiple CNS-related disorders. Baclofen, a prototypical orthosteric agonist, is used clinically for the treatment of spastic movement disorders, but is associated with unwanted side-effects, such as sedation and motor impairment. Positive allosteric modulators (PAM), which bind to a topographically-distinct site apart from the orthosteric binding pocket, may provide an improved side-effect profile while maintaining baclofen-like efficacy. GABA, the major inhibitory neurotransmitter in the CNS, plays an important role in the etiology and treatment of seizure disorders. Baclofen is known to produce anticonvulsant effects in the DBA/2J mouse audiogenic seizure test (AGS), suggesting it may be a suitable assay for assessing pharmacodynamic effects. Little is known about the effects of GABA(B) PAMs, however. The studies presented here sought to investigate the AGS test as a pharmacodynamic (PD) screening model for GABA(B) PAMs by comparing the profile of structurally diverse PAMs to baclofen. GS39783, rac-BHFF, CMPPE, A-1295120 (N-(3-(4-(4-chloro-3-fluorobenzyl)-6-methoxy-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide), and A-1474713 (N-(3-(4-(4-chlorobenzyl)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide) all produced robust, dose-dependent anticonvulsant effects; a similar profile was observed with baclofen. Pre-treatment with the GABA(B) antagonist SCH50911 completely blocked the anticonvulsant effects of baclofen and CMPPE in the AGS test, indicating such effects are likely mediated by the GABA(B) receptor. In addition to the standard anticonvulsant endpoint of the AGS test, video tracking software was employed to assess potential drug-induced motor side-effects during the acclimation period of the test. This analysis was sensitive to detecting drug-induced changes in total distance traveled, which was used to establish a therapeutic index (TI = hypoactivity/anticonvulsant effects). Calculated TIs for A-1295120, CMPPE, rac-BHFF, GS39783, and A-1474713 were 5.31x, 5.00x, 4.74x, 3.41x, and 1.83x, respectively, whereas baclofen was <1. The results presented here suggest the DBA/2J mouse AGS test is a potentially useful screening model for detecting PD effects of GABA(B) PAMs and can provide an initial read-out on target-related motor side-effects. Furthermore, an improved TI was observed for PAMs compared to baclofen, indicating the PAM approach may be a viable therapeutic alternative to baclofen. PMID:26471422

  16. Men are grass: Bateson, Erickson, utilization and metaphor.

    PubMed

    Roffman, Andrew E

    2008-01-01

    The relationship between metaphor and the practice of utilization in therapy and hypnosis can be seen as dependent on metaphor's role in structuring experience. The work of Gregory Bateson and others is used to illustrate how metaphor functions. Bateson's comparison of two forms of syllogistic logic provides a background for distinguishing between the experiential effects of metaphor in contrast to the categorical thinking inherent in simile and analogy. Clinical examples are given to demonstrate how utilization is structured by metaphor, particularly as Bateson has described it in his analysis of the Syllogism in Grass. PMID:18246856

  17. Recovery and Utilization of Extraterrestrial Resources

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This special bibliography includes the extraction, processing, and utilization of lunar, planetary, and asteroid resources; mining and excavation equipment, oxygen and propellant production; and in situ resource utilization.

  18. Degradation and morphological disorder in organic light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Mathai, Mathew K.

    In this study, the intrinsic oxidative degradation present in organic light emitting diodes (OLEDs), wherein aluminum (III) 8-hydroxyquinoline (Alq 3) is utilized as an electron transporting and light emitting layer is analyzed as a function of the relative hole current in the device. The extent to which holes are allowed into the Alq3 layer in the typical hole transport layer/electron transport layer sandwich structure in OLEDs is controlled by means of the variable conductivity of a salt containing polymer layer (henceforth referred to as the oxidized transport layer or OTL) acting as a hole injection layer. The device lifetime and quantum efficiency were observed to attain an optimum value for injected hole current. Based on these results, the hypothesis that hole current in excess of that required for light emission results in the intrinsic failure of OLEDs is proved. Further improvement in OLED lifetimes was attempted by minimizing thin film morphological instabilities. Co-evaporation of Alg3 with its close adduct aluminum (III) 4-methyl, 8-hydroxyquinoline (4m-Alq3) was utilized to provide entropically driven resistance to crystallization. The device quantum efficiencies thus obtained were the highest relative to 4m-Alq3 or Alq3 OLEDs made without co-evaporation, but the measured lifetimes were not extended over that of Alga based OLEDs. This is due to the poorer chemical stability of the 4m-Alq3 molecule as well as the energetic disorder introduced into the film by virtue of the blending process. The observation of this effect of energetic disorder led to the study of the same present in Alq3 itself. The utilization of 27Al solid-state magic angle spinning NMR enabled the detection of molecular scale disorder in thermally evaporated films of Alq3. Based on variations in the dipole correlation effects resulting from molecular scale disorder, the evolution of the density of states for Alq3 as a function of evaporation rate was estimated. This study clearly proved the existence of traps inherent to organometallic systems comprised of octahedrally complexed asymmetric bidendate ligands and has not been taken into consideration thus far. The implications of these studies in research geared towards realizing more durable organic electron devices is discussed.

  19. Composite isogrid structures for parabolic surfaces

    NASA Technical Reports Server (NTRS)

    Silverman, Edward M. (Inventor); Boyd, Jr., William E. (Inventor); Rhodes, Marvin D. (Inventor); Dyer, Jack E. (Inventor)

    2000-01-01

    The invention relates to high stiffness parabolic structures utilizing integral reinforced grids. The parabolic structures implement the use of isogrid structures which incorporate unique and efficient orthotropic patterns for efficient stiffness and structural stability.

  20. Power Sales to Electric Utilities

    SciTech Connect

    1989-02-01

    The Public Utilities Regulatory Policies Act (PURPA) of 1979 requires that electrical utilities interconnect with qualifying facilities and purchase electricity at a rate based upon their full avoided costs (i.e., costs of providing both capacity and energy). Qualifying facilities (QF) include solar or geothermal electric units, hydropower, municipal solid waste or biomass-fired power plants, and cogeneration projects that satisfy maximum size, fuel use, ownership, location, and/or efficiency criteria. In Washington State, neither standard power purchase prices based upon a proxy ''avoided plant'', standard contracts, or a standard offer process have been used. Instead, a variety of power purchase contracts have been negotiated by developers of qualifying facilities with investor-owned utilities, public utility districts, and municipally-owned and operated utilities. With a hydro-based system, benefits associated with resource acquisition are determined in large part by how compatible the resource is with a utility's existing generation mix. Power purchase rates are negotiated and vary according to firm energy production, guarantees, ability to schedule maintenance or downtime, rights of refusal, power plant purchase options, project start date and length of contract; front-loading or levelization provisions; and the ability of the project to provide ''demonstrated'' capacity. Legislation was also enacted which allows PURPA to work effectively. Initial laws established ownership rights and provided irrigation districts, PUDs, and municipalities with expanded enabling powers. Financial processes were streamlined and, in some cases, simplified. Finally, laws were passed which are designed to ensure that development proceeds in an environmentally acceptable manner. In retrospect, PURPA has worked well within Washington. In the state of Washington, 20 small-scale hydroelectric projects with a combined generating capacity of 77 MW, 3 solid waste-to-energy facilities with 55 MW of electrical output, 4 cogeneration projects with 34.5 MW of generating capability, and 4 wastewater treatment facility digester gas-to-energy projects with 5 MW of electrical production have come on-line (or are in the final stages of construction) since the passage of PURPA. These numbers represent only a small portion of Washington's untapped and underutilized cogeneration and renewable resource generating potentials. [DJE-2005